From ede1d8d1a2b9d936a2902396999e21e4010cc8ca Mon Sep 17 00:00:00 2001 From: MDKempe <58960264+MDKempe@users.noreply.github.com> Date: Wed, 17 Dec 2025 15:01:12 -0700 Subject: [PATCH 1/7] Update O2permeation.json Fixing the oxygen permeation data after a calculation error was found. Also added in uncertainty values. --- pvdeg/data/O2permeation.json | 187 ++++++++++++++++++++++------------- 1 file changed, 117 insertions(+), 70 deletions(-) diff --git a/pvdeg/data/O2permeation.json b/pvdeg/data/O2permeation.json index d3e18d90c..74f3c7810 100644 --- a/pvdeg/data/O2permeation.json +++ b/pvdeg/data/O2permeation.json @@ -7,39 +7,51 @@ "alias": "PVF", "contributor": "Michael Kempe", "source": "unpublished measurements", + "range": { "temperature": { "min": 5, "max": 85 } }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 30.48 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.0001421 }, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -0.0272266 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.0003594 }, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 30.2107 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 441.26 } + "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 30.4829806851499, "stdev": 1.30634808525531 }, + "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.000142100413011334 }, + "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -8.85897661638174, "stdev": 0.498813220504525}, + "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -0.272265891847877, "stdev": 1.96029517498912 }, + "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.000291121561353598 }, + "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -8.14176964141013, "stdev": 0.748515009446893}, + "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 30.2107147933021, "stdev": 0.889901126815091 }, + "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 357.42378906591 }, + "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 5.87892216197051, "stdev": 0.339797984937903} }, "OX002": { "name": "ST504", "alias": "PET1", "contributor": "Michael Kempe", "source": "unpublished measurements", + "range": { "temperature": { "min": 10, "max": 85 } }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 47.603 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.554153 }, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -11.5918 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 9.554366e-07 }, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 34.2011 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 2128.8937 } + "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 47.6412046902932, "stdev": 0.836010716399879 }, + "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.561705749061449 }, + "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -0.57677714438584, "stdev": 0.328180655396844}, + "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -16.0578477956147, "stdev": 1.81625072292457 }, + "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 1.47761656395834E-07 }, + "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -15.7276652910761, "stdev": 0.712979320625446}, + "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 31.559196935565, "stdev": 0.998737931730306 }, + "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 707.510576516865 }, + "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 6.5617525785461, "stdev": 0.386931254591448} }, "OX003": { "name": "EVA", "alias": "EVA-1", "contributor": "Michael Kempe", "source": "unpublished measurements", + "range": { "temperature": { "min": 5, "max": 85 } }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 29.43112031 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.129061678 }, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 16.6314948252219 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.136034525059804 }, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 49.1083457348515 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 528718258.338532 } + "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 30.3488412640457, "stdev": 1.66567590601733 }, + "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.186363361953945 }, + "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -1.68005695209138, "stdev": 0.627778477662801}, + "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 18.806969751765, "stdev": 5.51229654374758 }, + "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.00873335936357483 }, + "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -4.74060517632563, "stdev": 2.1850939750279}, + "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 51.3842343231651, "stdev": 3.37587902382362 }, + "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 1081181905.42824 }, + "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 20.8013206365886, "stdev": 1.31040598625681} }, "OX004": { "name": "AAA polyamide backsheet", @@ -47,13 +59,17 @@ "contributor": "Michael Kempe", "source": "unpublished measurements", "comment": "This is the trilayer polyamide backsheet that saw cracking in the field after 3 or 4 years of exposure", + "range": { "temperature": { "min": 6.8, "max": 85 } }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 37.41778528 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 24.10839436 }, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -0.947566422 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 7.81445e-06 }, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 36.47021886 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 1627722.989 } + "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 37.3837028363099, "stdev": 1.4059295171476 }, + "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 23.8308250590919 }, + "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 3.17097991321763, "stdev": 0.540645390252578}, + "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -0.749385271305265, "stdev": 1.58931574536815 }, + "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 6.77132875688743E-06 }, + "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -11.9028132189713, "stdev": 0.611165937487691}, + "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 36.6343175650046, "stdev": 0.468836681233115 }, + "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 1394205.27283858 }, + "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 14.1478351140088, "stdev": 0.180289543251257} }, "OX005": { "name": "Helioseal_101_dry", @@ -61,13 +77,17 @@ "contributor": "Michael Kempe", "comment": "This measurement is from a fresh film with active desiccant.", "source": "unpublished measurements", + "range": { "temperature": { "min": 7, "max": 82.7 } }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 45.01267147 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 3.370970011 }, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -3.528965263 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 5.25558996546881e-05 }, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 41.48370621 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 1530700.085 } + "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 45.2379239138169, "stdev": 1.04836819523508 }, + "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 3.649322236421 }, + "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 1.29454146170035, "stdev": 0.407529362703462}, + "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -2.81369469114369, "stdev": 2.15427371264941 }, + "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 5.51611064877736E-05 }, + "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -9.80525244563606, "stdev": 0.837425054666002}, + "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 42.4242292226732, "stdev": 2.24959487560159 }, + "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 1739237.63752587 }, + "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 14.3689574358267, "stdev": 0.874478995224877} }, "OX006": { "name": "Helioseal_101_wet", @@ -75,13 +95,17 @@ "contributor": "Michael Kempe", "comment": "This measurement is after saturation with water.", "source": "unpublished measurements", + "range": { "temperature": { "min": 7.5, "max": 63 } }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 50.75602972 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 37.24247609 }, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -5.398392306 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 1.58555e-05 }, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 45.35763741 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 5101898.064 } + "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 50.7559555451228, "stdev": 4.00598180112007 }, + "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 37.2424760878286 }, + "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 3.61744994020464, "stdev": 1.57308587384869}, + "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 2.73445636465624, "stdev": 4.6479793516889 }, + "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.000154058954487253 }, + "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -8.77817520746224, "stdev": 1.82518818683546}, + "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 53.490411909779, "stdev": 4.13269908900538 }, + "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 49572319.063168 }, + "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 17.7189431525048, "stdev": 1.62284575430772} }, "OX007": { "name": "LPO3_dry", @@ -89,13 +113,17 @@ "contributor": "Michael Kempe", "comment": "This measurement is from a fresh film with active desiccant.", "source": "unpublished measurements", + "range": { "temperature": { "min": 5.25, "max": 85 } }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 40.99859372 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.690368586 }, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 3.507719187 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.000543049 }, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 44.5738773 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 3287750.401 } + "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 41.8747463870785, "stdev": 1.61025143805659 }, + "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.940649826157739 }, + "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -0.0611843381357957, "stdev": 0.609459168608059}, + "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 5.98620470759825, "stdev": 5.4529538992794 }, + "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 2.72071647229497E-05 }, + "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -10.5120302104164, "stdev": 2.09609698879676}, + "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 44.9002971136429, "stdev": 1.42757699553932 }, + "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 2992127.23692038 }, + "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 14.911495142881, "stdev": 0.548755756402216} }, "OX008": { "name": "LPO3_wet", @@ -103,13 +131,17 @@ "contributor": "Michael Kempe", "comment": "This measurement is after saturation with water.", "source": "unpublished measurements", + "range": { "temperature": { "min": 7, "max": 83 } }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 48.73189239 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 10.50219391 }, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -2.129673846 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 9.19588e-05 }, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 46.60221855 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 8344245.628 } + "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 50.7707938037899, "stdev": 2.65142836455948 }, + "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 22.9935596511643 }, + "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 3.13521416155081, "stdev": 0.981302931096899}, + "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -2.97963821680531, "stdev": 3.25567293169799 }, + "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 1.73726314328044E-06 }, + "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -13.2631995892141, "stdev": 1.21656335808295}, + "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 46.3048994986326, "stdev": 2.05006941063141 }, + "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 6098325.03678058 }, + "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 15.6235247073041, "stdev": 0.76605954554536} }, "OX009": { "name": "Nagase_dry", @@ -118,12 +150,15 @@ "comment": "This measurement is from a fresh film with active desiccant.", "source": "unpublished measurements", "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 47.53715467 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 11.22649621 }, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 2.574465974 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.000433787 }, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 50.11162064 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 42076035.42 } + "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 47.5370852045655, "stdev": 2.26134419431366 }, + "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 11.2264962149631 }, + "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 2.41827671783806, "stdev": 0.87515308112808}, + "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 0.573053055186259, "stdev": 1.01072655241439 }, + "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.000176292362495222 }, + "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -8.64336679056961, "stdev": 0.39638400773051}, + "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 50.4311930097271, "stdev": 1.90690300161787 }, + "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 38749668.9879314 }, + "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 17.4726327714802, "stdev": 0.74784406556753} }, "OX010": { "name": "Nagase_wet", @@ -131,26 +166,34 @@ "contributor": "Michael Kempe", "comment": "This measurement is after saturation with water.", "source": "unpublished measurements", + "range": { "temperature": { "min": 5, "max": 81 } }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 42.09928821 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.973239619 }, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 3.706124657 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.001037698 }, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 45.80541287 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 8725784.224 } + "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 42.0992266897235, "stdev": 2.87339873478558 }, + "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.973239618914914 }, + "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -0.0271249589600551, "stdev": 1.10200472058657}, + "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 3.70611924169167, "stdev": 1.78410603814852 }, + "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.000840535316428838 }, + "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -7.08147158764161, "stdev": 0.684239626148993}, + "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 45.8053459314151, "stdev": 2.20240293420866 }, + "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 7067885.22183513 }, + "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 15.7710718731607, "stdev": 0.844664682541098} }, "OX011": { "name": "Oppanol_B_200", "contributor": "Michael Kempe", "Source": "G. J. Van Amerongen, The Permeability of Different Rubbers to Gases and Its Relation to Diffusivity and Solubility, Journal of Applied Physics 17, 972 (1946); https://doi.org/10.1063/1.1707667", "alias": "PIB-lit", + "range": { "temperature": { "min": 17, "max": 50 } }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 45.18908901 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 7.3 }, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -0.418217328 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.000129043 }, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 44.77087169 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 8138979.958 } + "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 46.1588523288883, "stdev": 1.1247958021836 }, + "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 10.0046713697576 }, + "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 2.30305212089529, "stdev": 0.441441903803991}, + "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -1.44129004123392, "stdev": 1.38230281234015 }, + "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 8.66504325145098E-05 }, + "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -9.35362855030317, "stdev": 0.54197346346768}, + "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 45.7457126425636, "stdev": 0.487134980393976 }, + "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 11283311.6429978 }, + "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 16.2388353463186, "stdev": 0.191182962042684} }, "OX012": { "name": "EVA", @@ -167,12 +210,16 @@ "contributor": "Michael Kempe", "source": "unpublished measurements", "comment": "This is a NREL laboratory formulation made similar to a typical EVA but using Dow Chemical Engage 8100, a poly ethylene octene copolymer, as the base resin.", + "range": { "temperature": { "min": 8, "max": 59 } }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 32.9383902685319 }, + "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 32.9383421354172, "stdev": 3.32312299555662 }, "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 1.00914093168826 }, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 6.33958717324394 }, + "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 0.00909940623459349, "stdev": 1.30133585859903}, + "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 6.33957790915805, "stdev": 2.0672797666538 }, "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.00148313008211379 }, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 39.2779774417758 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 12931378.0376762 } + "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -6.51360050415472, "stdev": 0.809547312482855}, + "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 39.2779200445752, "stdev": 4.00770095512696 }, + "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 1939706.70565142 }, + "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 14.4780473369564, "stdev": 1.56941677163975} } } From 63fe0b4432edd5f94fa70c3511dc615dda4f4c5e Mon Sep 17 00:00:00 2001 From: MDKempe <58960264+MDKempe@users.noreply.github.com> Date: Mon, 29 Dec 2025 15:31:09 -0700 Subject: [PATCH 2/7] Update O2permeation.json Updated the formatting of the JSON file --- pvdeg/data/O2permeation.json | 765 +++++++++++++++++++++++++++++------ 1 file changed, 639 insertions(+), 126 deletions(-) diff --git a/pvdeg/data/O2permeation.json b/pvdeg/data/O2permeation.json index 74f3c7810..55a5ada61 100644 --- a/pvdeg/data/O2permeation.json +++ b/pvdeg/data/O2permeation.json @@ -1,57 +1,144 @@ { "OX000": { - "comment": "This data is for oxygen permeation parameters. The activation energies are in [kJ/mol]. Do is in [cm²/s]. So is in [g/cm³/atm]. Po is in[g·mm/m²/day/atm]." + "comment": "This data is for oxygen permeation parameters. The activation energies are in [kJ/mol]. Do is in [cm\u00c2\u00b2/s]. So is in [g/cm\u00c2\u00b3/atm]. Po is in[g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm]." }, "OX001": { "name": "Tedlar", "alias": "PVF", "contributor": "Michael Kempe", "source": "unpublished measurements", - "range": { "temperature": { "min": 5, "max": 85 } }, + "range": { + "temperature": { + "min": 5, + "max": 85 + } + }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 30.4829806851499, "stdev": 1.30634808525531 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.000142100413011334 }, - "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -8.85897661638174, "stdev": 0.498813220504525}, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -0.272265891847877, "stdev": 1.96029517498912 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.000291121561353598 }, - "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -8.14176964141013, "stdev": 0.748515009446893}, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 30.2107147933021, "stdev": 0.889901126815091 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 357.42378906591 }, - "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 5.87892216197051, "stdev": 0.339797984937903} + "Ead": { + "name": "Diffusivity Activation Energy", + "units": "kJ/mol", + "value": 30.4829806851499, + "stdev": 1.30634808525531 + }, + "Do": { + "name": "Diffusivity Prefactor", + "units": "cm\u00c2\u00b2/s", + "value": 0.000142100413011334 + }, + "lnDo": { + "name": "Logarithm of Diffusivity Prefactor", + "units": "ln(cm\u00c2\u00b2/s)", + "value": -8.85897661638174, + "stdev": 0.498813220504525 + }, + "Eas": { + "name": "Solubility Activation Energy", + "units": "kJ/mol", + "value": -0.272265891847877, + "stdev": 1.96029517498912 + }, + "So": { + "name": "Solubility Prefactor", + "units": "g/cm\u00c2\u00b3/atm", + "value": 0.000291121561353598 + }, + "lnSo": { + "name": "Logarithm of Solubility Prefactor", + "units": "ln(g/cm\u00c2\u00b3/atm)", + "value": -8.14176964141013, + "stdev": 0.748515009446893 + }, + "Eap": { + "name": "Permeability Activation Energy", + "units": "kJ/mol", + "value": 30.2107147933021, + "stdev": 0.889901126815091 + }, + "Po": { + "name": "Permeability Prefactor", + "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", + "value": 357.42378906591 + }, + "lnPo": { + "name": "Logarithm of Permeability Prefactor", + "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", + "value": 5.87892216197051, + "stdev": 0.339797984937903 + } }, "OX002": { "name": "ST504", "alias": "PET1", "contributor": "Michael Kempe", "source": "unpublished measurements", - "range": { "temperature": { "min": 10, "max": 85 } }, + "range": { + "temperature": { + "min": 10, + "max": 85 + } + }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 47.6412046902932, "stdev": 0.836010716399879 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.561705749061449 }, - "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -0.57677714438584, "stdev": 0.328180655396844}, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -16.0578477956147, "stdev": 1.81625072292457 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 1.47761656395834E-07 }, - "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -15.7276652910761, "stdev": 0.712979320625446}, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 31.559196935565, "stdev": 0.998737931730306 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 707.510576516865 }, - "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 6.5617525785461, "stdev": 0.386931254591448} + "Ead": { + "name": "Diffusivity Activation Energy", + "units": "kJ/mol", + "value": 47.6412046902932, + "stdev": 0.836010716399879 + }, + "Do": { + "name": "Diffusivity Prefactor", + "units": "cm\u00c2\u00b2/s", + "value": 0.561705749061449 + }, + "lnDo": { + "name": "Logarithm of Diffusivity Prefactor", + "units": "ln(cm\u00c2\u00b2/s)", + "value": -0.57677714438584, + "stdev": 0.328180655396844 + }, + "Eas": { + "name": "Solubility Activation Energy", + "units": "kJ/mol", + "value": -16.0578477956147, + "stdev": 1.81625072292457 + }, + "So": { + "name": "Solubility Prefactor", + "units": "g/cm\u00c2\u00b3/atm", + "value": 1.47761656395834e-07 + }, + "lnSo": { + "name": "Logarithm of Solubility Prefactor", + "units": "ln(g/cm\u00c2\u00b3/atm)", + "value": -15.7276652910761, + "stdev": 0.712979320625446 + }, + "Eap": { + "name": "Permeability Activation Energy", + "units": "kJ/mol", + "value": 31.559196935565, + "stdev": 0.998737931730306 + }, + "Po": { + "name": "Permeability Prefactor", + "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", + "value": 707.510576516865 + }, + "lnPo": { + "name": "Logarithm of Permeability Prefactor", + "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", + "value": 6.5617525785461, + "stdev": 0.386931254591448 + } }, "OX003": { - "name": "EVA", "alias": "EVA-1", - "contributor": "Michael Kempe", - "source": "unpublished measurements", - "range": { "temperature": { "min": 5, "max": 85 } }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 30.3488412640457, "stdev": 1.66567590601733 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.186363361953945 }, - "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -1.68005695209138, "stdev": 0.627778477662801}, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 18.806969751765, "stdev": 5.51229654374758 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.00873335936357483 }, - "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -4.74060517632563, "stdev": 2.1850939750279}, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 51.3842343231651, "stdev": 3.37587902382362 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 1081181905.42824 }, - "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 20.8013206365886, "stdev": 1.31040598625681} + "Ead": 30.3488412640457, + "Do": 0.186363361953945, + "Eas": 18.806969751765, + "So": 0.00873335936357483, + "Eap": 51.3842343231651, + "Po": 1081181905.42824 }, "OX004": { "name": "AAA polyamide backsheet", @@ -59,17 +146,64 @@ "contributor": "Michael Kempe", "source": "unpublished measurements", "comment": "This is the trilayer polyamide backsheet that saw cracking in the field after 3 or 4 years of exposure", - "range": { "temperature": { "min": 6.8, "max": 85 } }, + "range": { + "temperature": { + "min": 6.8, + "max": 85 + } + }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 37.3837028363099, "stdev": 1.4059295171476 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 23.8308250590919 }, - "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 3.17097991321763, "stdev": 0.540645390252578}, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -0.749385271305265, "stdev": 1.58931574536815 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 6.77132875688743E-06 }, - "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -11.9028132189713, "stdev": 0.611165937487691}, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 36.6343175650046, "stdev": 0.468836681233115 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 1394205.27283858 }, - "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 14.1478351140088, "stdev": 0.180289543251257} + "Ead": { + "name": "Diffusivity Activation Energy", + "units": "kJ/mol", + "value": 37.3837028363099, + "stdev": 1.4059295171476 + }, + "Do": { + "name": "Diffusivity Prefactor", + "units": "cm\u00c2\u00b2/s", + "value": 23.8308250590919 + }, + "lnDo": { + "name": "Logarithm of Diffusivity Prefactor", + "units": "ln(cm\u00c2\u00b2/s)", + "value": 3.17097991321763, + "stdev": 0.540645390252578 + }, + "Eas": { + "name": "Solubility Activation Energy", + "units": "kJ/mol", + "value": -0.749385271305265, + "stdev": 1.58931574536815 + }, + "So": { + "name": "Solubility Prefactor", + "units": "g/cm\u00c2\u00b3/atm", + "value": 6.77132875688743e-06 + }, + "lnSo": { + "name": "Logarithm of Solubility Prefactor", + "units": "ln(g/cm\u00c2\u00b3/atm)", + "value": -11.9028132189713, + "stdev": 0.611165937487691 + }, + "Eap": { + "name": "Permeability Activation Energy", + "units": "kJ/mol", + "value": 36.6343175650046, + "stdev": 0.468836681233115 + }, + "Po": { + "name": "Permeability Prefactor", + "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", + "value": 1394205.27283858 + }, + "lnPo": { + "name": "Logarithm of Permeability Prefactor", + "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", + "value": 14.1478351140088, + "stdev": 0.180289543251257 + } }, "OX005": { "name": "Helioseal_101_dry", @@ -77,17 +211,64 @@ "contributor": "Michael Kempe", "comment": "This measurement is from a fresh film with active desiccant.", "source": "unpublished measurements", - "range": { "temperature": { "min": 7, "max": 82.7 } }, + "range": { + "temperature": { + "min": 7, + "max": 82.7 + } + }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 45.2379239138169, "stdev": 1.04836819523508 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 3.649322236421 }, - "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 1.29454146170035, "stdev": 0.407529362703462}, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -2.81369469114369, "stdev": 2.15427371264941 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 5.51611064877736E-05 }, - "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -9.80525244563606, "stdev": 0.837425054666002}, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 42.4242292226732, "stdev": 2.24959487560159 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 1739237.63752587 }, - "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 14.3689574358267, "stdev": 0.874478995224877} + "Ead": { + "name": "Diffusivity Activation Energy", + "units": "kJ/mol", + "value": 45.2379239138169, + "stdev": 1.04836819523508 + }, + "Do": { + "name": "Diffusivity Prefactor", + "units": "cm\u00c2\u00b2/s", + "value": 3.649322236421 + }, + "lnDo": { + "name": "Logarithm of Diffusivity Prefactor", + "units": "ln(cm\u00c2\u00b2/s)", + "value": 1.29454146170035, + "stdev": 0.407529362703462 + }, + "Eas": { + "name": "Solubility Activation Energy", + "units": "kJ/mol", + "value": -2.81369469114369, + "stdev": 2.15427371264941 + }, + "So": { + "name": "Solubility Prefactor", + "units": "g/cm\u00c2\u00b3/atm", + "value": 5.51611064877736e-05 + }, + "lnSo": { + "name": "Logarithm of Solubility Prefactor", + "units": "ln(g/cm\u00c2\u00b3/atm)", + "value": -9.80525244563606, + "stdev": 0.837425054666002 + }, + "Eap": { + "name": "Permeability Activation Energy", + "units": "kJ/mol", + "value": 42.4242292226732, + "stdev": 2.24959487560159 + }, + "Po": { + "name": "Permeability Prefactor", + "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", + "value": 1739237.63752587 + }, + "lnPo": { + "name": "Logarithm of Permeability Prefactor", + "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", + "value": 14.3689574358267, + "stdev": 0.874478995224877 + } }, "OX006": { "name": "Helioseal_101_wet", @@ -95,17 +276,64 @@ "contributor": "Michael Kempe", "comment": "This measurement is after saturation with water.", "source": "unpublished measurements", - "range": { "temperature": { "min": 7.5, "max": 63 } }, + "range": { + "temperature": { + "min": 7.5, + "max": 63 + } + }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 50.7559555451228, "stdev": 4.00598180112007 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 37.2424760878286 }, - "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 3.61744994020464, "stdev": 1.57308587384869}, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 2.73445636465624, "stdev": 4.6479793516889 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.000154058954487253 }, - "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -8.77817520746224, "stdev": 1.82518818683546}, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 53.490411909779, "stdev": 4.13269908900538 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 49572319.063168 }, - "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 17.7189431525048, "stdev": 1.62284575430772} + "Ead": { + "name": "Diffusivity Activation Energy", + "units": "kJ/mol", + "value": 50.7559555451228, + "stdev": 4.00598180112007 + }, + "Do": { + "name": "Diffusivity Prefactor", + "units": "cm\u00c2\u00b2/s", + "value": 37.2424760878286 + }, + "lnDo": { + "name": "Logarithm of Diffusivity Prefactor", + "units": "ln(cm\u00c2\u00b2/s)", + "value": 3.61744994020464, + "stdev": 1.57308587384869 + }, + "Eas": { + "name": "Solubility Activation Energy", + "units": "kJ/mol", + "value": 2.73445636465624, + "stdev": 4.6479793516889 + }, + "So": { + "name": "Solubility Prefactor", + "units": "g/cm\u00c2\u00b3/atm", + "value": 0.000154058954487253 + }, + "lnSo": { + "name": "Logarithm of Solubility Prefactor", + "units": "ln(g/cm\u00c2\u00b3/atm)", + "value": -8.77817520746224, + "stdev": 1.82518818683546 + }, + "Eap": { + "name": "Permeability Activation Energy", + "units": "kJ/mol", + "value": 53.490411909779, + "stdev": 4.13269908900538 + }, + "Po": { + "name": "Permeability Prefactor", + "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", + "value": 49572319.063168 + }, + "lnPo": { + "name": "Logarithm of Permeability Prefactor", + "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", + "value": 17.7189431525048, + "stdev": 1.62284575430772 + } }, "OX007": { "name": "LPO3_dry", @@ -113,17 +341,64 @@ "contributor": "Michael Kempe", "comment": "This measurement is from a fresh film with active desiccant.", "source": "unpublished measurements", - "range": { "temperature": { "min": 5.25, "max": 85 } }, + "range": { + "temperature": { + "min": 5.25, + "max": 85 + } + }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 41.8747463870785, "stdev": 1.61025143805659 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.940649826157739 }, - "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -0.0611843381357957, "stdev": 0.609459168608059}, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 5.98620470759825, "stdev": 5.4529538992794 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 2.72071647229497E-05 }, - "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -10.5120302104164, "stdev": 2.09609698879676}, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 44.9002971136429, "stdev": 1.42757699553932 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 2992127.23692038 }, - "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 14.911495142881, "stdev": 0.548755756402216} + "Ead": { + "name": "Diffusivity Activation Energy", + "units": "kJ/mol", + "value": 41.8747463870785, + "stdev": 1.61025143805659 + }, + "Do": { + "name": "Diffusivity Prefactor", + "units": "cm\u00c2\u00b2/s", + "value": 0.940649826157739 + }, + "lnDo": { + "name": "Logarithm of Diffusivity Prefactor", + "units": "ln(cm\u00c2\u00b2/s)", + "value": -0.0611843381357957, + "stdev": 0.609459168608059 + }, + "Eas": { + "name": "Solubility Activation Energy", + "units": "kJ/mol", + "value": 5.98620470759825, + "stdev": 5.4529538992794 + }, + "So": { + "name": "Solubility Prefactor", + "units": "g/cm\u00c2\u00b3/atm", + "value": 2.72071647229497e-05 + }, + "lnSo": { + "name": "Logarithm of Solubility Prefactor", + "units": "ln(g/cm\u00c2\u00b3/atm)", + "value": -10.5120302104164, + "stdev": 2.09609698879676 + }, + "Eap": { + "name": "Permeability Activation Energy", + "units": "kJ/mol", + "value": 44.9002971136429, + "stdev": 1.42757699553932 + }, + "Po": { + "name": "Permeability Prefactor", + "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", + "value": 2992127.23692038 + }, + "lnPo": { + "name": "Logarithm of Permeability Prefactor", + "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", + "value": 14.911495142881, + "stdev": 0.548755756402216 + } }, "OX008": { "name": "LPO3_wet", @@ -131,17 +406,64 @@ "contributor": "Michael Kempe", "comment": "This measurement is after saturation with water.", "source": "unpublished measurements", - "range": { "temperature": { "min": 7, "max": 83 } }, + "range": { + "temperature": { + "min": 7, + "max": 83 + } + }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 50.7707938037899, "stdev": 2.65142836455948 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 22.9935596511643 }, - "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 3.13521416155081, "stdev": 0.981302931096899}, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -2.97963821680531, "stdev": 3.25567293169799 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 1.73726314328044E-06 }, - "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -13.2631995892141, "stdev": 1.21656335808295}, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 46.3048994986326, "stdev": 2.05006941063141 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 6098325.03678058 }, - "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 15.6235247073041, "stdev": 0.76605954554536} + "Ead": { + "name": "Diffusivity Activation Energy", + "units": "kJ/mol", + "value": 50.7707938037899, + "stdev": 2.65142836455948 + }, + "Do": { + "name": "Diffusivity Prefactor", + "units": "cm\u00c2\u00b2/s", + "value": 22.9935596511643 + }, + "lnDo": { + "name": "Logarithm of Diffusivity Prefactor", + "units": "ln(cm\u00c2\u00b2/s)", + "value": 3.13521416155081, + "stdev": 0.981302931096899 + }, + "Eas": { + "name": "Solubility Activation Energy", + "units": "kJ/mol", + "value": -2.97963821680531, + "stdev": 3.25567293169799 + }, + "So": { + "name": "Solubility Prefactor", + "units": "g/cm\u00c2\u00b3/atm", + "value": 1.73726314328044e-06 + }, + "lnSo": { + "name": "Logarithm of Solubility Prefactor", + "units": "ln(g/cm\u00c2\u00b3/atm)", + "value": -13.2631995892141, + "stdev": 1.21656335808295 + }, + "Eap": { + "name": "Permeability Activation Energy", + "units": "kJ/mol", + "value": 46.3048994986326, + "stdev": 2.05006941063141 + }, + "Po": { + "name": "Permeability Prefactor", + "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", + "value": 6098325.03678058 + }, + "lnPo": { + "name": "Logarithm of Permeability Prefactor", + "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", + "value": 15.6235247073041, + "stdev": 0.76605954554536 + } }, "OX009": { "name": "Nagase_dry", @@ -150,15 +472,57 @@ "comment": "This measurement is from a fresh film with active desiccant.", "source": "unpublished measurements", "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 47.5370852045655, "stdev": 2.26134419431366 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 11.2264962149631 }, - "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 2.41827671783806, "stdev": 0.87515308112808}, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 0.573053055186259, "stdev": 1.01072655241439 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.000176292362495222 }, - "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -8.64336679056961, "stdev": 0.39638400773051}, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 50.4311930097271, "stdev": 1.90690300161787 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 38749668.9879314 }, - "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 17.4726327714802, "stdev": 0.74784406556753} + "Ead": { + "name": "Diffusivity Activation Energy", + "units": "kJ/mol", + "value": 47.5370852045655, + "stdev": 2.26134419431366 + }, + "Do": { + "name": "Diffusivity Prefactor", + "units": "cm\u00c2\u00b2/s", + "value": 11.2264962149631 + }, + "lnDo": { + "name": "Logarithm of Diffusivity Prefactor", + "units": "ln(cm\u00c2\u00b2/s)", + "value": 2.41827671783806, + "stdev": 0.87515308112808 + }, + "Eas": { + "name": "Solubility Activation Energy", + "units": "kJ/mol", + "value": 0.573053055186259, + "stdev": 1.01072655241439 + }, + "So": { + "name": "Solubility Prefactor", + "units": "g/cm\u00c2\u00b3/atm", + "value": 0.000176292362495222 + }, + "lnSo": { + "name": "Logarithm of Solubility Prefactor", + "units": "ln(g/cm\u00c2\u00b3/atm)", + "value": -8.64336679056961, + "stdev": 0.39638400773051 + }, + "Eap": { + "name": "Permeability Activation Energy", + "units": "kJ/mol", + "value": 50.4311930097271, + "stdev": 1.90690300161787 + }, + "Po": { + "name": "Permeability Prefactor", + "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", + "value": 38749668.9879314 + }, + "lnPo": { + "name": "Logarithm of Permeability Prefactor", + "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", + "value": 17.4726327714802, + "stdev": 0.74784406556753 + } }, "OX010": { "name": "Nagase_wet", @@ -166,34 +530,128 @@ "contributor": "Michael Kempe", "comment": "This measurement is after saturation with water.", "source": "unpublished measurements", - "range": { "temperature": { "min": 5, "max": 81 } }, + "range": { + "temperature": { + "min": 5, + "max": 81 + } + }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 42.0992266897235, "stdev": 2.87339873478558 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.973239618914914 }, - "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -0.0271249589600551, "stdev": 1.10200472058657}, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 3.70611924169167, "stdev": 1.78410603814852 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.000840535316428838 }, - "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -7.08147158764161, "stdev": 0.684239626148993}, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 45.8053459314151, "stdev": 2.20240293420866 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 7067885.22183513 }, - "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 15.7710718731607, "stdev": 0.844664682541098} + "Ead": { + "name": "Diffusivity Activation Energy", + "units": "kJ/mol", + "value": 42.0992266897235, + "stdev": 2.87339873478558 + }, + "Do": { + "name": "Diffusivity Prefactor", + "units": "cm\u00c2\u00b2/s", + "value": 0.973239618914914 + }, + "lnDo": { + "name": "Logarithm of Diffusivity Prefactor", + "units": "ln(cm\u00c2\u00b2/s)", + "value": -0.0271249589600551, + "stdev": 1.10200472058657 + }, + "Eas": { + "name": "Solubility Activation Energy", + "units": "kJ/mol", + "value": 3.70611924169167, + "stdev": 1.78410603814852 + }, + "So": { + "name": "Solubility Prefactor", + "units": "g/cm\u00c2\u00b3/atm", + "value": 0.000840535316428838 + }, + "lnSo": { + "name": "Logarithm of Solubility Prefactor", + "units": "ln(g/cm\u00c2\u00b3/atm)", + "value": -7.08147158764161, + "stdev": 0.684239626148993 + }, + "Eap": { + "name": "Permeability Activation Energy", + "units": "kJ/mol", + "value": 45.8053459314151, + "stdev": 2.20240293420866 + }, + "Po": { + "name": "Permeability Prefactor", + "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", + "value": 7067885.22183513 + }, + "lnPo": { + "name": "Logarithm of Permeability Prefactor", + "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", + "value": 15.7710718731607, + "stdev": 0.844664682541098 + } }, "OX011": { "name": "Oppanol_B_200", "contributor": "Michael Kempe", "Source": "G. J. Van Amerongen, The Permeability of Different Rubbers to Gases and Its Relation to Diffusivity and Solubility, Journal of Applied Physics 17, 972 (1946); https://doi.org/10.1063/1.1707667", "alias": "PIB-lit", - "range": { "temperature": { "min": 17, "max": 50 } }, + "range": { + "temperature": { + "min": 17, + "max": 50 + } + }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 46.1588523288883, "stdev": 1.1247958021836 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 10.0046713697576 }, - "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 2.30305212089529, "stdev": 0.441441903803991}, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -1.44129004123392, "stdev": 1.38230281234015 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 8.66504325145098E-05 }, - "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -9.35362855030317, "stdev": 0.54197346346768}, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 45.7457126425636, "stdev": 0.487134980393976 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 11283311.6429978 }, - "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 16.2388353463186, "stdev": 0.191182962042684} + "Ead": { + "name": "Diffusivity Activation Energy", + "units": "kJ/mol", + "value": 46.1588523288883, + "stdev": 1.1247958021836 + }, + "Do": { + "name": "Diffusivity Prefactor", + "units": "cm\u00c2\u00b2/s", + "value": 10.0046713697576 + }, + "lnDo": { + "name": "Logarithm of Diffusivity Prefactor", + "units": "ln(cm\u00c2\u00b2/s)", + "value": 2.30305212089529, + "stdev": 0.441441903803991 + }, + "Eas": { + "name": "Solubility Activation Energy", + "units": "kJ/mol", + "value": -1.44129004123392, + "stdev": 1.38230281234015 + }, + "So": { + "name": "Solubility Prefactor", + "units": "g/cm\u00c2\u00b3/atm", + "value": 8.66504325145098e-05 + }, + "lnSo": { + "name": "Logarithm of Solubility Prefactor", + "units": "ln(g/cm\u00c2\u00b3/atm)", + "value": -9.35362855030317, + "stdev": 0.54197346346768 + }, + "Eap": { + "name": "Permeability Activation Energy", + "units": "kJ/mol", + "value": 45.7457126425636, + "stdev": 0.487134980393976 + }, + "Po": { + "name": "Permeability Prefactor", + "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", + "value": 11283311.6429978 + }, + "lnPo": { + "name": "Logarithm of Permeability Prefactor", + "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", + "value": 16.2388353463186, + "stdev": 0.191182962042684 + } }, "OX012": { "name": "EVA", @@ -201,8 +659,16 @@ "contributor": "Michael Kempe", "source": "Urban Weber, Ralf Eiden, Christine Strubel, Thorsten Soegding, Markus Heiss, Peter Zachmann, Kurt Nattermann, Harry Engelmann, Annelene Dethlefsen, Norbert Lenck, Acetic Acid Production, Migration and Corrosion Effects in Ethylene-Vinyl-Acetate-(EVA-)Based PV Modules, 27th European Photovoltaic Solar Energy Conference and Exhibition.", "comment": "Extracted from Figure 10 of Weber et al. The activation energy does not exactly match that in the published work (25.4 kJ/mol). I did this because I wanted to include the prefactor.", - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 28.1814557950317 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.0331146659105106 } + "Ead": { + "name": "Diffusivity Activation Energy", + "units": "kJ/mol", + "value": 28.1814557950317 + }, + "Do": { + "name": "Diffusivity Prefactor", + "units": "cm\u00c2\u00b2/s", + "value": 0.0331146659105106 + } }, "OX013": { "name": "polyolefin elastomer (POE)", @@ -210,16 +676,63 @@ "contributor": "Michael Kempe", "source": "unpublished measurements", "comment": "This is a NREL laboratory formulation made similar to a typical EVA but using Dow Chemical Engage 8100, a poly ethylene octene copolymer, as the base resin.", - "range": { "temperature": { "min": 8, "max": 59 } }, + "range": { + "temperature": { + "min": 8, + "max": 59 + } + }, "Fickian": true, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 32.9383421354172, "stdev": 3.32312299555662 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 1.00914093168826 }, - "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 0.00909940623459349, "stdev": 1.30133585859903}, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 6.33957790915805, "stdev": 2.0672797666538 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.00148313008211379 }, - "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -6.51360050415472, "stdev": 0.809547312482855}, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 39.2779200445752, "stdev": 4.00770095512696 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 1939706.70565142 }, - "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 14.4780473369564, "stdev": 1.56941677163975} + "Ead": { + "name": "Diffusivity Activation Energy", + "units": "kJ/mol", + "value": 32.9383421354172, + "stdev": 3.32312299555662 + }, + "Do": { + "name": "Diffusivity Prefactor", + "units": "cm\u00c2\u00b2/s", + "value": 1.00914093168826 + }, + "lnDo": { + "name": "Logarithm of Diffusivity Prefactor", + "units": "ln(cm\u00c2\u00b2/s)", + "value": 0.00909940623459349, + "stdev": 1.30133585859903 + }, + "Eas": { + "name": "Solubility Activation Energy", + "units": "kJ/mol", + "value": 6.33957790915805, + "stdev": 2.0672797666538 + }, + "So": { + "name": "Solubility Prefactor", + "units": "g/cm\u00c2\u00b3/atm", + "value": 0.00148313008211379 + }, + "lnSo": { + "name": "Logarithm of Solubility Prefactor", + "units": "ln(g/cm\u00c2\u00b3/atm)", + "value": -6.51360050415472, + "stdev": 0.809547312482855 + }, + "Eap": { + "name": "Permeability Activation Energy", + "units": "kJ/mol", + "value": 39.2779200445752, + "stdev": 4.00770095512696 + }, + "Po": { + "name": "Permeability Prefactor", + "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", + "value": 1939706.70565142 + }, + "lnPo": { + "name": "Logarithm of Permeability Prefactor", + "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", + "value": 14.4780473369564, + "stdev": 1.56941677163975 + } } -} +} \ No newline at end of file From 2af1efa64211b7d9de350b777d1d1305a4fb903d Mon Sep 17 00:00:00 2001 From: MDKempe <58960264+MDKempe@users.noreply.github.com> Date: Mon, 29 Dec 2025 16:46:26 -0700 Subject: [PATCH 3/7] Update O2permeation.json Found a dataset that wasn't updated. --- pvdeg/data/O2permeation.json | 20 ++++++++++++-------- 1 file changed, 12 insertions(+), 8 deletions(-) diff --git a/pvdeg/data/O2permeation.json b/pvdeg/data/O2permeation.json index 55a5ada61..5a71730db 100644 --- a/pvdeg/data/O2permeation.json +++ b/pvdeg/data/O2permeation.json @@ -68,7 +68,7 @@ }, "OX002": { "name": "ST504", - "alias": "PET1", + "alias": "PET-1", "contributor": "Michael Kempe", "source": "unpublished measurements", "range": { @@ -104,7 +104,7 @@ "So": { "name": "Solubility Prefactor", "units": "g/cm\u00c2\u00b3/atm", - "value": 1.47761656395834e-07 + "value": 1.47761656395834E-07 }, "lnSo": { "name": "Logarithm of Solubility Prefactor", @@ -133,12 +133,16 @@ "OX003": { "alias": "EVA-1", "Fickian": true, - "Ead": 30.3488412640457, - "Do": 0.186363361953945, - "Eas": 18.806969751765, - "So": 0.00873335936357483, - "Eap": 51.3842343231651, - "Po": 1081181905.42824 + "range": {"temperature": {"min": 5, "max": 85} }, + "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 30.3488412640457, "stdev": 1.66567590601733 }, + "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.186363361953945 }, + "lnDo": { "name": "Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -1.68005695209138, "stdev": 0.627778477662801}, + "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 18.806969751765, "stdev": 5.51229654374758 }, + "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.00873335936357483 }, + "lnSo": { "name": "Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -4.74060517632563, "stdev": 2.1850939750279}, + "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 51.3842343231651, "stdev": 3.37587902382362 }, + "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 1081181905.42824 }, + "lnPo": { "name": "Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 20.8013206365886, "stdev": 1.31040598625681} }, "OX004": { "name": "AAA polyamide backsheet", From db7ba00a09462b627cff579a9d723d609bad7ecf Mon Sep 17 00:00:00 2001 From: MDKempe <58960264+MDKempe@users.noreply.github.com> Date: Mon, 29 Dec 2025 16:47:13 -0700 Subject: [PATCH 4/7] Fix some pytests Fixed the pytests associated with the oxygen parameter JSON file changes. --- tests/test_scenario.py | 36 ++++++++-------- tests/test_utilities.py | 94 ++++++++++++++++++++++++++++++++--------- 2 files changed, 92 insertions(+), 38 deletions(-) diff --git a/tests/test_scenario.py b/tests/test_scenario.py index 01e4ad271..82030a543 100644 --- a/tests/test_scenario.py +++ b/tests/test_scenario.py @@ -153,12 +153,12 @@ def test_addModule_string_material_valid(): assert len(scenario.modules) == 1 assert scenario.modules[0]["module_name"] == "test_module" assert scenario.modules[0]["material_params"] == { - "Ead": 29.43112031, - "Do": 0.129061678, - "Eas": 16.6314948252219, - "So": 0.136034525059804, - "Eap": 49.1083457348515, - "Po": 528718258.338532, + "Ead": 30.3488412640457, + "Do": 0.186363361953945, + "Eas": 18.806969751765, + "So": 0.00873335936357483, + "Eap": 51.3842343231651, + "Po": 1081181905.42824 } @@ -202,12 +202,12 @@ def test_addModule_dict_single_material_valid_name(): assert scenario.modules[0]["module_name"] == "test_module" assert scenario.modules[0]["material_params"] == { "encapsulant": { - "Ead": 29.43112031, - "Do": 0.129061678, - "Eas": 16.6314948252219, - "So": 0.136034525059804, - "Eap": 49.1083457348515, - "Po": 528718258.338532, + "Ead": 30.3488412640457, + "Do": 0.186363361953945, + "Eas": 18.806969751765, + "So": 0.00873335936357483, + "Eap": 51.3842343231651, + "Po": 1081181905.42824 } } @@ -261,12 +261,12 @@ def test_addModule_dict_multiple_material_valid(): assert scenario.modules[0]["module_name"] == "test_module" assert scenario.modules[0]["material_params"] == { "encapsulant": { - "Ead": 29.43112031, - "Do": 0.129061678, - "Eas": 16.6314948252219, - "So": 0.136034525059804, - "Eap": 49.1083457348515, - "Po": 528718258.338532, + "Ead": 30.3488412640457, + "Do": 0.186363361953945, + "Eas": 18.806969751765, + "So": 0.00873335936357483, + "Eap": 51.3842343231651, + "Po": 1081181905.42824 }, "backsheet": { "Ead": 96.5385865449266, diff --git a/tests/test_utilities.py b/tests/test_utilities.py index df466adea..844ac2d1f 100644 --- a/tests/test_utilities.py +++ b/tests/test_utilities.py @@ -250,39 +250,66 @@ def test_read_material_special(): def test_read_material_normal(): res = { "name": "ST504", - "alias": "PET1", + "alias": "PET-1", "contributor": "Michael Kempe", "source": "unpublished measurements", + "range": { + "temperature": { + "min": 10, + "max": 85 + } + }, "Fickian": True, "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", - "value": 47.603, + "value": 47.6412046902932, + "stdev": 0.836010716399879 }, "Do": { "name": "Diffusivity Prefactor", - "units": "cm²/s", - "value": 0.554153, + "units": "cm\u00c2\u00b2/s", + "value": 0.561705749061449 + }, + "lnDo": { + "name": "Logarithm of Diffusivity Prefactor", + "units": "ln(cm\u00c2\u00b2/s)", + "value": -0.57677714438584, + "stdev": 0.328180655396844 }, "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", - "value": -11.5918, + "value": -16.0578477956147, + "stdev": 1.81625072292457 }, "So": { "name": "Solubility Prefactor", - "units": "g/cm³/atm", - "value": 9.554366e-07, + "units": "g/cm\u00c2\u00b3/atm", + "value": 1.47761656395834E-07 + }, + "lnSo": { + "name": "Logarithm of Solubility Prefactor", + "units": "ln(g/cm\u00c2\u00b3/atm)", + "value": -15.7276652910761, + "stdev": 0.712979320625446 }, "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", - "value": 34.2011, + "value": 31.559196935565, + "stdev": 0.998737931730306 }, "Po": { "name": "Permeability Prefactor", - "units": "g·mm/m²/day/atm", - "value": 2128.8937, + "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", + "value": 707.510576516865 + }, + "lnPo": { + "name": "Logarithm of Permeability Prefactor", + "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", + "value": 6.5617525785461, + "stdev": 0.386931254591448 }, } @@ -324,39 +351,66 @@ def test_read_material_property_missing_params(): def test_read_material_fp_override(): res = { "name": "ST504", - "alias": "PET1", + "alias": "PET-1", "contributor": "Michael Kempe", "source": "unpublished measurements", + "range": { + "temperature": { + "min": 10, + "max": 85 + } + }, "Fickian": True, "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", - "value": 47.603, + "value": 47.6412046902932, + "stdev": 0.836010716399879 }, "Do": { "name": "Diffusivity Prefactor", - "units": "cm²/s", - "value": 0.554153, + "units": "cm\u00c2\u00b2/s", + "value": 0.561705749061449 + }, + "lnDo": { + "name": "Logarithm of Diffusivity Prefactor", + "units": "ln(cm\u00c2\u00b2/s)", + "value": -0.57677714438584, + "stdev": 0.328180655396844 }, "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", - "value": -11.5918, + "value": -16.0578477956147, + "stdev": 1.81625072292457 }, "So": { "name": "Solubility Prefactor", - "units": "g/cm³/atm", - "value": 9.554366e-07, + "units": "g/cm\u00c2\u00b3/atm", + "value": 1.47761656395834E-07 + }, + "lnSo": { + "name": "Logarithm of Solubility Prefactor", + "units": "ln(g/cm\u00c2\u00b3/atm)", + "value": -15.7276652910761, + "stdev": 0.712979320625446 }, "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", - "value": 34.2011, + "value": 31.559196935565, + "stdev": 0.998737931730306 }, "Po": { "name": "Permeability Prefactor", - "units": "g·mm/m²/day/atm", - "value": 2128.8937, + "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", + "value": 707.510576516865 + }, + "lnPo": { + "name": "Logarithm of Permeability Prefactor", + "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", + "value": 6.5617525785461, + "stdev": 0.386931254591448 }, } From a976f29426a9475a7883ef53058dff98d35c4313 Mon Sep 17 00:00:00 2001 From: martin-springer Date: Mon, 29 Dec 2025 19:00:17 -0500 Subject: [PATCH 5/7] run pre-commit --- pvdeg/data/O2permeation.json | 2 +- tests/test_scenario.py | 6 ++--- tests/test_utilities.py | 50 +++++++++++++++--------------------- 3 files changed, 24 insertions(+), 34 deletions(-) diff --git a/pvdeg/data/O2permeation.json b/pvdeg/data/O2permeation.json index 5a71730db..71864a25a 100644 --- a/pvdeg/data/O2permeation.json +++ b/pvdeg/data/O2permeation.json @@ -739,4 +739,4 @@ "stdev": 1.56941677163975 } } -} \ No newline at end of file +} diff --git a/tests/test_scenario.py b/tests/test_scenario.py index 82030a543..37337e7a2 100644 --- a/tests/test_scenario.py +++ b/tests/test_scenario.py @@ -158,7 +158,7 @@ def test_addModule_string_material_valid(): "Eas": 18.806969751765, "So": 0.00873335936357483, "Eap": 51.3842343231651, - "Po": 1081181905.42824 + "Po": 1081181905.42824, } @@ -207,7 +207,7 @@ def test_addModule_dict_single_material_valid_name(): "Eas": 18.806969751765, "So": 0.00873335936357483, "Eap": 51.3842343231651, - "Po": 1081181905.42824 + "Po": 1081181905.42824, } } @@ -266,7 +266,7 @@ def test_addModule_dict_multiple_material_valid(): "Eas": 18.806969751765, "So": 0.00873335936357483, "Eap": 51.3842343231651, - "Po": 1081181905.42824 + "Po": 1081181905.42824, }, "backsheet": { "Ead": 96.5385865449266, diff --git a/tests/test_utilities.py b/tests/test_utilities.py index 844ac2d1f..e40efa2d9 100644 --- a/tests/test_utilities.py +++ b/tests/test_utilities.py @@ -253,63 +253,58 @@ def test_read_material_normal(): "alias": "PET-1", "contributor": "Michael Kempe", "source": "unpublished measurements", - "range": { - "temperature": { - "min": 10, - "max": 85 - } - }, + "range": {"temperature": {"min": 10, "max": 85}}, "Fickian": True, "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 47.6412046902932, - "stdev": 0.836010716399879 + "stdev": 0.836010716399879, }, "Do": { "name": "Diffusivity Prefactor", "units": "cm\u00c2\u00b2/s", - "value": 0.561705749061449 + "value": 0.561705749061449, }, "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm\u00c2\u00b2/s)", "value": -0.57677714438584, - "stdev": 0.328180655396844 + "stdev": 0.328180655396844, }, "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -16.0578477956147, - "stdev": 1.81625072292457 + "stdev": 1.81625072292457, }, "So": { "name": "Solubility Prefactor", "units": "g/cm\u00c2\u00b3/atm", - "value": 1.47761656395834E-07 + "value": 1.47761656395834e-07, }, "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm\u00c2\u00b3/atm)", "value": -15.7276652910761, - "stdev": 0.712979320625446 + "stdev": 0.712979320625446, }, "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 31.559196935565, - "stdev": 0.998737931730306 + "stdev": 0.998737931730306, }, "Po": { "name": "Permeability Prefactor", "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", - "value": 707.510576516865 + "value": 707.510576516865, }, "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", "value": 6.5617525785461, - "stdev": 0.386931254591448 + "stdev": 0.386931254591448, }, } @@ -354,63 +349,58 @@ def test_read_material_fp_override(): "alias": "PET-1", "contributor": "Michael Kempe", "source": "unpublished measurements", - "range": { - "temperature": { - "min": 10, - "max": 85 - } - }, + "range": {"temperature": {"min": 10, "max": 85}}, "Fickian": True, "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 47.6412046902932, - "stdev": 0.836010716399879 + "stdev": 0.836010716399879, }, "Do": { "name": "Diffusivity Prefactor", "units": "cm\u00c2\u00b2/s", - "value": 0.561705749061449 + "value": 0.561705749061449, }, "lnDo": { "name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm\u00c2\u00b2/s)", "value": -0.57677714438584, - "stdev": 0.328180655396844 + "stdev": 0.328180655396844, }, "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": -16.0578477956147, - "stdev": 1.81625072292457 + "stdev": 1.81625072292457, }, "So": { "name": "Solubility Prefactor", "units": "g/cm\u00c2\u00b3/atm", - "value": 1.47761656395834E-07 + "value": 1.47761656395834e-07, }, "lnSo": { "name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm\u00c2\u00b3/atm)", "value": -15.7276652910761, - "stdev": 0.712979320625446 + "stdev": 0.712979320625446, }, "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 31.559196935565, - "stdev": 0.998737931730306 + "stdev": 0.998737931730306, }, "Po": { "name": "Permeability Prefactor", "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", - "value": 707.510576516865 + "value": 707.510576516865, }, "lnPo": { "name": "Logarithm of Permeability Prefactor", "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", "value": 6.5617525785461, - "stdev": 0.386931254591448 + "stdev": 0.386931254591448, }, } From 20e55fb640e204de41576a74371ddbd2e8746286 Mon Sep 17 00:00:00 2001 From: MDKempe <58960264+MDKempe@users.noreply.github.com> Date: Wed, 31 Dec 2025 15:06:01 -0700 Subject: [PATCH 6/7] Update O2permeation.json Fixed formatting to use superscripts and special characters. and reduced the number of significant figures. --- pvdeg/data/O2permeation.json | 810 +++++++---------------------------- 1 file changed, 153 insertions(+), 657 deletions(-) diff --git a/pvdeg/data/O2permeation.json b/pvdeg/data/O2permeation.json index 71864a25a..c251c55c2 100644 --- a/pvdeg/data/O2permeation.json +++ b/pvdeg/data/O2permeation.json @@ -1,662 +1,205 @@ { "OX000": { - "comment": "This data is for oxygen permeation parameters. The activation energies are in [kJ/mol]. Do is in [cm\u00c2\u00b2/s]. So is in [g/cm\u00c2\u00b3/atm]. Po is in[g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm]." - }, + "comment": "This data is for oxygen permeation parameters. The activation energies are in [kJ/mol]. Do is in [cm²/s]. So is in [g/cm³/atm]. Po is in[g·mm/m²/day/atm]." +}, "OX001": { "name": "Tedlar", "alias": "PVF", "contributor": "Michael Kempe", "source": "unpublished measurements", - "range": { - "temperature": { - "min": 5, - "max": 85 - } - }, + "comment": "Uncertainties computed from a linear regression of ln(P), ln(D), and ln(S) vs 1/T.", "Fickian": true, - "Ead": { - "name": "Diffusivity Activation Energy", - "units": "kJ/mol", - "value": 30.4829806851499, - "stdev": 1.30634808525531 - }, - "Do": { - "name": "Diffusivity Prefactor", - "units": "cm\u00c2\u00b2/s", - "value": 0.000142100413011334 - }, - "lnDo": { - "name": "Logarithm of Diffusivity Prefactor", - "units": "ln(cm\u00c2\u00b2/s)", - "value": -8.85897661638174, - "stdev": 0.498813220504525 - }, - "Eas": { - "name": "Solubility Activation Energy", - "units": "kJ/mol", - "value": -0.272265891847877, - "stdev": 1.96029517498912 - }, - "So": { - "name": "Solubility Prefactor", - "units": "g/cm\u00c2\u00b3/atm", - "value": 0.000291121561353598 - }, - "lnSo": { - "name": "Logarithm of Solubility Prefactor", - "units": "ln(g/cm\u00c2\u00b3/atm)", - "value": -8.14176964141013, - "stdev": 0.748515009446893 - }, - "Eap": { - "name": "Permeability Activation Energy", - "units": "kJ/mol", - "value": 30.2107147933021, - "stdev": 0.889901126815091 - }, - "Po": { - "name": "Permeability Prefactor", - "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", - "value": 357.42378906591 - }, - "lnPo": { - "name": "Logarithm of Permeability Prefactor", - "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", - "value": 5.87892216197051, - "stdev": 0.339797984937903 - } - }, + "range": {"temperature": {"min": 5, "max": 85}}, + "Ead": {"name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 30.48, "stdev": 1.306}, + "Do": {"name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.0001421}, + "lnDo": {"name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -8.859, "stdev": 0.4988}, + "Eas": {"name": "Solubility Activation Energy", "units": "kJ/mol", "value": -0.2723, "stdev": 1.960}, + "So": {"name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.0002911}, + "lnSo": {"name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -8.142, "stdev": 0.7485}, + "Eap": {"name": "Permeability Activation Energy", "units": "kJ/mol", "value": 30.21, "stdev": 0.8899}, + "Po": {"name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 357.4}, + "lnPo": {"name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 5.879, "stdev": 0.3398} +}, "OX002": { "name": "ST504", "alias": "PET-1", "contributor": "Michael Kempe", "source": "unpublished measurements", - "range": { - "temperature": { - "min": 10, - "max": 85 - } - }, + "comment": "Uncertainties computed from a linear regression of ln(P), ln(D), and ln(S) vs 1/T.", "Fickian": true, - "Ead": { - "name": "Diffusivity Activation Energy", - "units": "kJ/mol", - "value": 47.6412046902932, - "stdev": 0.836010716399879 - }, - "Do": { - "name": "Diffusivity Prefactor", - "units": "cm\u00c2\u00b2/s", - "value": 0.561705749061449 - }, - "lnDo": { - "name": "Logarithm of Diffusivity Prefactor", - "units": "ln(cm\u00c2\u00b2/s)", - "value": -0.57677714438584, - "stdev": 0.328180655396844 - }, - "Eas": { - "name": "Solubility Activation Energy", - "units": "kJ/mol", - "value": -16.0578477956147, - "stdev": 1.81625072292457 - }, - "So": { - "name": "Solubility Prefactor", - "units": "g/cm\u00c2\u00b3/atm", - "value": 1.47761656395834E-07 - }, - "lnSo": { - "name": "Logarithm of Solubility Prefactor", - "units": "ln(g/cm\u00c2\u00b3/atm)", - "value": -15.7276652910761, - "stdev": 0.712979320625446 - }, - "Eap": { - "name": "Permeability Activation Energy", - "units": "kJ/mol", - "value": 31.559196935565, - "stdev": 0.998737931730306 - }, - "Po": { - "name": "Permeability Prefactor", - "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", - "value": 707.510576516865 - }, - "lnPo": { - "name": "Logarithm of Permeability Prefactor", - "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", - "value": 6.5617525785461, - "stdev": 0.386931254591448 - } - }, + "range": {"temperature": {"min": 25, "max": 85}}, + "Ead": {"name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 47.64, "stdev": 0.8360}, + "Do": {"name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.5617}, + "lnDo": {"name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -0.5768, "stdev": 0.3282}, + "Eas": {"name": "Solubility Activation Energy", "units": "kJ/mol", "value": -16.06, "stdev": 1.816}, + "So": {"name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.0000001478}, + "lnSo": {"name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -15.73, "stdev": 0.7130}, + "Eap": {"name": "Permeability Activation Energy", "units": "kJ/mol", "value": 31.56, "stdev": 0.9987}, + "Po": {"name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 707.5}, + "lnPo": {"name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 6.562, "stdev": 0.3869} +}, "OX003": { "alias": "EVA-1", + "contributor": "Michael Kempe", + "source": "unpublished measurements", + "comment": "Uncertainties computed from a linear regression of ln(P), ln(D), and ln(S) vs 1/T.", "Fickian": true, - "range": {"temperature": {"min": 5, "max": 85} }, - "Ead": { "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 30.3488412640457, "stdev": 1.66567590601733 }, - "Do": { "name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.186363361953945 }, - "lnDo": { "name": "Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -1.68005695209138, "stdev": 0.627778477662801}, - "Eas": { "name": "Solubility Activation Energy", "units": "kJ/mol", "value": 18.806969751765, "stdev": 5.51229654374758 }, - "So": { "name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.00873335936357483 }, - "lnSo": { "name": "Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -4.74060517632563, "stdev": 2.1850939750279}, - "Eap": { "name": "Permeability Activation Energy", "units": "kJ/mol", "value": 51.3842343231651, "stdev": 3.37587902382362 }, - "Po": { "name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 1081181905.42824 }, - "lnPo": { "name": "Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 20.8013206365886, "stdev": 1.31040598625681} - }, + "range": {"temperature": {"min": 5, "max": 85}}, + "Ead": {"name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 30.35, "stdev": 1.666}, + "Do": {"name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.1864}, + "lnDo": {"name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -1.680, "stdev": 0.6278}, + "Eas": {"name": "Solubility Activation Energy", "units": "kJ/mol", "value": 18.81, "stdev": 5.512}, + "So": {"name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.008733}, + "lnSo": {"name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -4.741, "stdev": 2.185}, + "Eap": {"name": "Permeability Activation Energy", "units": "kJ/mol", "value": 51.38, "stdev": 3.376}, + "Po": {"name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 1081000000}, + "lnPo": {"name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 20.80, "stdev": 1.310} +}, "OX004": { "name": "AAA polyamide backsheet", "alias": "AAA", "contributor": "Michael Kempe", "source": "unpublished measurements", - "comment": "This is the trilayer polyamide backsheet that saw cracking in the field after 3 or 4 years of exposure", - "range": { - "temperature": { - "min": 6.8, - "max": 85 - } - }, + "comment": "This is the trilayer polyamide backsheet that saw cracking in the field after 3 or 4 years of exposure. Uncertainties computed from a linear regression of ln(P), ln(D), and ln(S) vs 1/T.", "Fickian": true, - "Ead": { - "name": "Diffusivity Activation Energy", - "units": "kJ/mol", - "value": 37.3837028363099, - "stdev": 1.4059295171476 - }, - "Do": { - "name": "Diffusivity Prefactor", - "units": "cm\u00c2\u00b2/s", - "value": 23.8308250590919 - }, - "lnDo": { - "name": "Logarithm of Diffusivity Prefactor", - "units": "ln(cm\u00c2\u00b2/s)", - "value": 3.17097991321763, - "stdev": 0.540645390252578 - }, - "Eas": { - "name": "Solubility Activation Energy", - "units": "kJ/mol", - "value": -0.749385271305265, - "stdev": 1.58931574536815 - }, - "So": { - "name": "Solubility Prefactor", - "units": "g/cm\u00c2\u00b3/atm", - "value": 6.77132875688743e-06 - }, - "lnSo": { - "name": "Logarithm of Solubility Prefactor", - "units": "ln(g/cm\u00c2\u00b3/atm)", - "value": -11.9028132189713, - "stdev": 0.611165937487691 - }, - "Eap": { - "name": "Permeability Activation Energy", - "units": "kJ/mol", - "value": 36.6343175650046, - "stdev": 0.468836681233115 - }, - "Po": { - "name": "Permeability Prefactor", - "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", - "value": 1394205.27283858 - }, - "lnPo": { - "name": "Logarithm of Permeability Prefactor", - "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", - "value": 14.1478351140088, - "stdev": 0.180289543251257 - } - }, + "range": {"temperature": {"min": 6.8, "max": 85}}, + "Ead": {"name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 37.38, "stdev": 1.406}, + "Do": {"name": "Diffusivity Prefactor", "units": "cm²/s", "value": 23.83}, + "lnDo": {"name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 3.171, "stdev": 0.5406}, + "Eas": {"name": "Solubility Activation Energy", "units": "kJ/mol", "value": -0.7494, "stdev": 1.589}, + "So": {"name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.000006771}, + "lnSo": {"name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -11.90, "stdev": 0.6112}, + "Eap": {"name": "Permeability Activation Energy", "units": "kJ/mol", "value": 36.63, "stdev": 0.4688}, + "Po": {"name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 1394000}, + "lnPo": {"name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 14.15, "stdev": 0.1803} +}, "OX005": { "name": "Helioseal_101_dry", "alias": "PIB-A", "contributor": "Michael Kempe", - "comment": "This measurement is from a fresh film with active desiccant.", + "comment": "This measurement is from a fresh film with active desiccant. Uncertainties computed from a linear regression of ln(P), ln(D), and ln(S) vs 1/T.", "source": "unpublished measurements", - "range": { - "temperature": { - "min": 7, - "max": 82.7 - } - }, "Fickian": true, - "Ead": { - "name": "Diffusivity Activation Energy", - "units": "kJ/mol", - "value": 45.2379239138169, - "stdev": 1.04836819523508 - }, - "Do": { - "name": "Diffusivity Prefactor", - "units": "cm\u00c2\u00b2/s", - "value": 3.649322236421 - }, - "lnDo": { - "name": "Logarithm of Diffusivity Prefactor", - "units": "ln(cm\u00c2\u00b2/s)", - "value": 1.29454146170035, - "stdev": 0.407529362703462 - }, - "Eas": { - "name": "Solubility Activation Energy", - "units": "kJ/mol", - "value": -2.81369469114369, - "stdev": 2.15427371264941 - }, - "So": { - "name": "Solubility Prefactor", - "units": "g/cm\u00c2\u00b3/atm", - "value": 5.51611064877736e-05 - }, - "lnSo": { - "name": "Logarithm of Solubility Prefactor", - "units": "ln(g/cm\u00c2\u00b3/atm)", - "value": -9.80525244563606, - "stdev": 0.837425054666002 - }, - "Eap": { - "name": "Permeability Activation Energy", - "units": "kJ/mol", - "value": 42.4242292226732, - "stdev": 2.24959487560159 - }, - "Po": { - "name": "Permeability Prefactor", - "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", - "value": 1739237.63752587 - }, - "lnPo": { - "name": "Logarithm of Permeability Prefactor", - "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", - "value": 14.3689574358267, - "stdev": 0.874478995224877 - } - }, + "range": {"temperature": {"min": 7, "max": 82.3}}, + "Ead": {"name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 45.24, "stdev": 1.048}, + "Do": {"name": "Diffusivity Prefactor", "units": "cm²/s", "value": 3.649}, + "lnDo": {"name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 1.295, "stdev": 0.4075}, + "Eas": {"name": "Solubility Activation Energy", "units": "kJ/mol", "value": -2.814, "stdev": 2.154}, + "So": {"name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.00005516}, + "lnSo": {"name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -9.805, "stdev": 0.8374}, + "Eap": {"name": "Permeability Activation Energy", "units": "kJ/mol", "value": 42.42, "stdev": 2.250}, + "Po": {"name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 1739000}, + "lnPo": {"name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 14.37, "stdev": 0.8745} +}, "OX006": { "name": "Helioseal_101_wet", "alias": "PIB-A Wet", "contributor": "Michael Kempe", - "comment": "This measurement is after saturation with water.", + "comment": "This measurement is after saturation with water. Uncertainties computed from a linear regression of ln(P), ln(D), and ln(S) vs 1/T.", "source": "unpublished measurements", - "range": { - "temperature": { - "min": 7.5, - "max": 63 - } - }, "Fickian": true, - "Ead": { - "name": "Diffusivity Activation Energy", - "units": "kJ/mol", - "value": 50.7559555451228, - "stdev": 4.00598180112007 - }, - "Do": { - "name": "Diffusivity Prefactor", - "units": "cm\u00c2\u00b2/s", - "value": 37.2424760878286 - }, - "lnDo": { - "name": "Logarithm of Diffusivity Prefactor", - "units": "ln(cm\u00c2\u00b2/s)", - "value": 3.61744994020464, - "stdev": 1.57308587384869 - }, - "Eas": { - "name": "Solubility Activation Energy", - "units": "kJ/mol", - "value": 2.73445636465624, - "stdev": 4.6479793516889 - }, - "So": { - "name": "Solubility Prefactor", - "units": "g/cm\u00c2\u00b3/atm", - "value": 0.000154058954487253 - }, - "lnSo": { - "name": "Logarithm of Solubility Prefactor", - "units": "ln(g/cm\u00c2\u00b3/atm)", - "value": -8.77817520746224, - "stdev": 1.82518818683546 - }, - "Eap": { - "name": "Permeability Activation Energy", - "units": "kJ/mol", - "value": 53.490411909779, - "stdev": 4.13269908900538 - }, - "Po": { - "name": "Permeability Prefactor", - "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", - "value": 49572319.063168 - }, - "lnPo": { - "name": "Logarithm of Permeability Prefactor", - "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", - "value": 17.7189431525048, - "stdev": 1.62284575430772 - } - }, + "range": {"temperature": {"min": 7.5, "max": 63}}, + "Ead": {"name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 50.76, "stdev": 4.006}, + "Do": {"name": "Diffusivity Prefactor", "units": "cm²/s", "value": 37.24}, + "lnDo": {"name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 3.617, "stdev": 1.573}, + "Eas": {"name": "Solubility Activation Energy", "units": "kJ/mol", "value": 2.734, "stdev": 4.648}, + "So": {"name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.0001541}, + "lnSo": {"name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -8.778, "stdev": 1.825}, + "Eap": {"name": "Permeability Activation Energy", "units": "kJ/mol", "value": 53.49, "stdev": 4.133}, + "Po": {"name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 49570000}, + "lnPo": {"name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 17.72, "stdev": 1.623} +}, "OX007": { "name": "LPO3_dry", "alias": "PIB-B", "contributor": "Michael Kempe", - "comment": "This measurement is from a fresh film with active desiccant.", + "comment": "This measurement is from a fresh film with active desiccant. Uncertainties computed from a linear regression of ln(P), ln(D), and ln(S) vs 1/T.", "source": "unpublished measurements", - "range": { - "temperature": { - "min": 5.25, - "max": 85 - } - }, "Fickian": true, - "Ead": { - "name": "Diffusivity Activation Energy", - "units": "kJ/mol", - "value": 41.8747463870785, - "stdev": 1.61025143805659 - }, - "Do": { - "name": "Diffusivity Prefactor", - "units": "cm\u00c2\u00b2/s", - "value": 0.940649826157739 - }, - "lnDo": { - "name": "Logarithm of Diffusivity Prefactor", - "units": "ln(cm\u00c2\u00b2/s)", - "value": -0.0611843381357957, - "stdev": 0.609459168608059 - }, - "Eas": { - "name": "Solubility Activation Energy", - "units": "kJ/mol", - "value": 5.98620470759825, - "stdev": 5.4529538992794 - }, - "So": { - "name": "Solubility Prefactor", - "units": "g/cm\u00c2\u00b3/atm", - "value": 2.72071647229497e-05 - }, - "lnSo": { - "name": "Logarithm of Solubility Prefactor", - "units": "ln(g/cm\u00c2\u00b3/atm)", - "value": -10.5120302104164, - "stdev": 2.09609698879676 - }, - "Eap": { - "name": "Permeability Activation Energy", - "units": "kJ/mol", - "value": 44.9002971136429, - "stdev": 1.42757699553932 - }, - "Po": { - "name": "Permeability Prefactor", - "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", - "value": 2992127.23692038 - }, - "lnPo": { - "name": "Logarithm of Permeability Prefactor", - "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", - "value": 14.911495142881, - "stdev": 0.548755756402216 - } - }, + "range": {"temperature": {"min": 5.25, "max": 85}}, + "Ead": {"name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 41.87, "stdev": 1.610}, + "Do": {"name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.9406}, + "lnDo": {"name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -0.06118, "stdev": 0.6095}, + "Eas": {"name": "Solubility Activation Energy", "units": "kJ/mol", "value": 5.986, "stdev": 5.453}, + "So": {"name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.00002721}, + "lnSo": {"name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -10.51, "stdev": 2.096}, + "Eap": {"name": "Permeability Activation Energy", "units": "kJ/mol", "value": 44.90, "stdev": 1.428}, + "Po": {"name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 2992000}, + "lnPo": {"name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 14.91, "stdev": 0.5488} +}, "OX008": { "name": "LPO3_wet", "alias": "PIB-B", "contributor": "Michael Kempe", - "comment": "This measurement is after saturation with water.", + "comment": "This measurement is after saturation with water. Uncertainties computed from a linear regression of ln(P), ln(D), and ln(S) vs 1/T.", "source": "unpublished measurements", - "range": { - "temperature": { - "min": 7, - "max": 83 - } - }, + "Fickian": true, - "Ead": { - "name": "Diffusivity Activation Energy", - "units": "kJ/mol", - "value": 50.7707938037899, - "stdev": 2.65142836455948 - }, - "Do": { - "name": "Diffusivity Prefactor", - "units": "cm\u00c2\u00b2/s", - "value": 22.9935596511643 - }, - "lnDo": { - "name": "Logarithm of Diffusivity Prefactor", - "units": "ln(cm\u00c2\u00b2/s)", - "value": 3.13521416155081, - "stdev": 0.981302931096899 - }, - "Eas": { - "name": "Solubility Activation Energy", - "units": "kJ/mol", - "value": -2.97963821680531, - "stdev": 3.25567293169799 - }, - "So": { - "name": "Solubility Prefactor", - "units": "g/cm\u00c2\u00b3/atm", - "value": 1.73726314328044e-06 - }, - "lnSo": { - "name": "Logarithm of Solubility Prefactor", - "units": "ln(g/cm\u00c2\u00b3/atm)", - "value": -13.2631995892141, - "stdev": 1.21656335808295 - }, - "Eap": { - "name": "Permeability Activation Energy", - "units": "kJ/mol", - "value": 46.3048994986326, - "stdev": 2.05006941063141 - }, - "Po": { - "name": "Permeability Prefactor", - "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", - "value": 6098325.03678058 - }, - "lnPo": { - "name": "Logarithm of Permeability Prefactor", - "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", - "value": 15.6235247073041, - "stdev": 0.76605954554536 - } - }, + "range": {"temperature": {"min": 7, "max": 83}}, + "Ead": {"name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 50.77, "stdev": 2.651}, + "Do": {"name": "Diffusivity Prefactor", "units": "cm²/s", "value": 22.99}, + "lnDo": {"name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 3.135, "stdev": 0.9813}, + "Eas": {"name": "Solubility Activation Energy", "units": "kJ/mol", "value": -2.980, "stdev": 3.256}, + "So": {"name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.000001737}, + "lnSo": {"name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -13.26, "stdev": 1.217}, + "Eap": {"name": "Permeability Activation Energy", "units": "kJ/mol", "value": 46.30, "stdev": 2.050}, + "Po": {"name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 6098000}, + "lnPo": {"name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 15.62, "stdev": 0.7661} +}, "OX009": { "name": "Nagase_dry", "alias": "PIB-B", "contributor": "Michael Kempe", - "comment": "This measurement is from a fresh film with active desiccant.", + "comment": "This measurement is from a fresh film with active desiccant. Uncertainties computed from a linear regression of ln(P), ln(D), and ln(S) vs 1/T.", "source": "unpublished measurements", "Fickian": true, - "Ead": { - "name": "Diffusivity Activation Energy", - "units": "kJ/mol", - "value": 47.5370852045655, - "stdev": 2.26134419431366 - }, - "Do": { - "name": "Diffusivity Prefactor", - "units": "cm\u00c2\u00b2/s", - "value": 11.2264962149631 - }, - "lnDo": { - "name": "Logarithm of Diffusivity Prefactor", - "units": "ln(cm\u00c2\u00b2/s)", - "value": 2.41827671783806, - "stdev": 0.87515308112808 - }, - "Eas": { - "name": "Solubility Activation Energy", - "units": "kJ/mol", - "value": 0.573053055186259, - "stdev": 1.01072655241439 - }, - "So": { - "name": "Solubility Prefactor", - "units": "g/cm\u00c2\u00b3/atm", - "value": 0.000176292362495222 - }, - "lnSo": { - "name": "Logarithm of Solubility Prefactor", - "units": "ln(g/cm\u00c2\u00b3/atm)", - "value": -8.64336679056961, - "stdev": 0.39638400773051 - }, - "Eap": { - "name": "Permeability Activation Energy", - "units": "kJ/mol", - "value": 50.4311930097271, - "stdev": 1.90690300161787 - }, - "Po": { - "name": "Permeability Prefactor", - "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", - "value": 38749668.9879314 - }, - "lnPo": { - "name": "Logarithm of Permeability Prefactor", - "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", - "value": 17.4726327714802, - "stdev": 0.74784406556753 - } - }, + "range": {"temperature": {"min": 5, "max": 85}}, + "Ead": {"name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 47.54, "stdev": 2.261}, + "Do": {"name": "Diffusivity Prefactor", "units": "cm²/s", "value": 11.23}, + "lnDo": {"name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 2.418, "stdev": 0.8752}, + "Eas": {"name": "Solubility Activation Energy", "units": "kJ/mol", "value": 0.5731, "stdev": 1.011}, + "So": {"name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.0001763}, + "lnSo": {"name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -8.643, "stdev": 0.3964}, + "Eap": {"name": "Permeability Activation Energy", "units": "kJ/mol", "value": 50.43, "stdev": 1.907}, + "Po": {"name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 38750000}, + "lnPo": {"name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 17.47, "stdev": 0.7478} +}, "OX010": { "name": "Nagase_wet", "alias": "PIB-B", "contributor": "Michael Kempe", - "comment": "This measurement is after saturation with water.", + "comment": "This measurement is after saturation with water. Uncertainties computed from a linear regression of ln(P), ln(D), and ln(S) vs 1/T.", "source": "unpublished measurements", - "range": { - "temperature": { - "min": 5, - "max": 81 - } - }, "Fickian": true, - "Ead": { - "name": "Diffusivity Activation Energy", - "units": "kJ/mol", - "value": 42.0992266897235, - "stdev": 2.87339873478558 - }, - "Do": { - "name": "Diffusivity Prefactor", - "units": "cm\u00c2\u00b2/s", - "value": 0.973239618914914 - }, - "lnDo": { - "name": "Logarithm of Diffusivity Prefactor", - "units": "ln(cm\u00c2\u00b2/s)", - "value": -0.0271249589600551, - "stdev": 1.10200472058657 - }, - "Eas": { - "name": "Solubility Activation Energy", - "units": "kJ/mol", - "value": 3.70611924169167, - "stdev": 1.78410603814852 - }, - "So": { - "name": "Solubility Prefactor", - "units": "g/cm\u00c2\u00b3/atm", - "value": 0.000840535316428838 - }, - "lnSo": { - "name": "Logarithm of Solubility Prefactor", - "units": "ln(g/cm\u00c2\u00b3/atm)", - "value": -7.08147158764161, - "stdev": 0.684239626148993 - }, - "Eap": { - "name": "Permeability Activation Energy", - "units": "kJ/mol", - "value": 45.8053459314151, - "stdev": 2.20240293420866 - }, - "Po": { - "name": "Permeability Prefactor", - "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", - "value": 7067885.22183513 - }, - "lnPo": { - "name": "Logarithm of Permeability Prefactor", - "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", - "value": 15.7710718731607, - "stdev": 0.844664682541098 - } - }, + "range": {"temperature": {"min": 6.1, "max": 82}}, + "Ead": {"name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 42.10, "stdev": 2.873}, + "Do": {"name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.9732}, + "lnDo": {"name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -0.02712, "stdev": 1.102}, + "Eas": {"name": "Solubility Activation Energy", "units": "kJ/mol", "value": 3.706, "stdev": 1.784}, + "So": {"name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.0008405}, + "lnSo": {"name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -7.081, "stdev": 0.6842}, + "Eap": {"name": "Permeability Activation Energy", "units": "kJ/mol", "value": 45.81, "stdev": 2.202}, + "Po": {"name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 7068000}, + "lnPo": {"name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 15.77, "stdev": 0.8447} +}, "OX011": { "name": "Oppanol_B_200", "contributor": "Michael Kempe", + "comment": "Uncertainties computed from a linear regression of ln(P), ln(D), and ln(S) vs 1/T.", "Source": "G. J. Van Amerongen, The Permeability of Different Rubbers to Gases and Its Relation to Diffusivity and Solubility, Journal of Applied Physics 17, 972 (1946); https://doi.org/10.1063/1.1707667", "alias": "PIB-lit", - "range": { - "temperature": { - "min": 17, - "max": 50 - } - }, "Fickian": true, - "Ead": { - "name": "Diffusivity Activation Energy", - "units": "kJ/mol", - "value": 46.1588523288883, - "stdev": 1.1247958021836 - }, - "Do": { - "name": "Diffusivity Prefactor", - "units": "cm\u00c2\u00b2/s", - "value": 10.0046713697576 - }, - "lnDo": { - "name": "Logarithm of Diffusivity Prefactor", - "units": "ln(cm\u00c2\u00b2/s)", - "value": 2.30305212089529, - "stdev": 0.441441903803991 - }, - "Eas": { - "name": "Solubility Activation Energy", - "units": "kJ/mol", - "value": -1.44129004123392, - "stdev": 1.38230281234015 - }, - "So": { - "name": "Solubility Prefactor", - "units": "g/cm\u00c2\u00b3/atm", - "value": 8.66504325145098e-05 - }, - "lnSo": { - "name": "Logarithm of Solubility Prefactor", - "units": "ln(g/cm\u00c2\u00b3/atm)", - "value": -9.35362855030317, - "stdev": 0.54197346346768 - }, - "Eap": { - "name": "Permeability Activation Energy", - "units": "kJ/mol", - "value": 45.7457126425636, - "stdev": 0.487134980393976 - }, - "Po": { - "name": "Permeability Prefactor", - "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", - "value": 11283311.6429978 - }, - "lnPo": { - "name": "Logarithm of Permeability Prefactor", - "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", - "value": 16.2388353463186, - "stdev": 0.191182962042684 - } - }, + "range": {"temperature": {"min": 17, "max": 50}}, + "Ead": {"name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 46.16, "stdev": 1.125}, + "Do": {"name": "Diffusivity Prefactor", "units": "cm²/s", "value": 10.00}, + "lnDo": {"name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 2.303, "stdev": 0.4414}, + "Eas": {"name": "Solubility Activation Energy", "units": "kJ/mol", "value": -1.441, "stdev": 1.382}, + "So": {"name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.00008665}, + "lnSo": {"name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -9.354, "stdev": 0.5420}, + "Eap": {"name": "Permeability Activation Energy", "units": "kJ/mol", "value": 45.75, "stdev": 0.4871}, + "Po": {"name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 11280000}, + "lnPo": {"name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 16.24, "stdev": 0.1912} +}, "OX012": { "name": "EVA", "alias": "EVA-2", @@ -667,76 +210,29 @@ "name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 28.1814557950317 - }, +}, "Do": { "name": "Diffusivity Prefactor", - "units": "cm\u00c2\u00b2/s", + "units": "cm²/s", "value": 0.0331146659105106 - } - }, +} +}, "OX013": { "name": "polyolefin elastomer (POE)", "alias": "POE-1", "contributor": "Michael Kempe", "source": "unpublished measurements", - "comment": "This is a NREL laboratory formulation made similar to a typical EVA but using Dow Chemical Engage 8100, a poly ethylene octene copolymer, as the base resin.", - "range": { - "temperature": { - "min": 8, - "max": 59 - } - }, + "comment": "This is a NREL laboratory formulation made similar to a typical EVA but using Dow Chemical Engage 8100, a poly ethylene octene copolymer, as the base resin. Uncertainties computed from a linear regression of ln(P), ln(D), and ln(S) vs 1/T.", "Fickian": true, - "Ead": { - "name": "Diffusivity Activation Energy", - "units": "kJ/mol", - "value": 32.9383421354172, - "stdev": 3.32312299555662 - }, - "Do": { - "name": "Diffusivity Prefactor", - "units": "cm\u00c2\u00b2/s", - "value": 1.00914093168826 - }, - "lnDo": { - "name": "Logarithm of Diffusivity Prefactor", - "units": "ln(cm\u00c2\u00b2/s)", - "value": 0.00909940623459349, - "stdev": 1.30133585859903 - }, - "Eas": { - "name": "Solubility Activation Energy", - "units": "kJ/mol", - "value": 6.33957790915805, - "stdev": 2.0672797666538 - }, - "So": { - "name": "Solubility Prefactor", - "units": "g/cm\u00c2\u00b3/atm", - "value": 0.00148313008211379 - }, - "lnSo": { - "name": "Logarithm of Solubility Prefactor", - "units": "ln(g/cm\u00c2\u00b3/atm)", - "value": -6.51360050415472, - "stdev": 0.809547312482855 - }, - "Eap": { - "name": "Permeability Activation Energy", - "units": "kJ/mol", - "value": 39.2779200445752, - "stdev": 4.00770095512696 - }, - "Po": { - "name": "Permeability Prefactor", - "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", - "value": 1939706.70565142 - }, - "lnPo": { - "name": "Logarithm of Permeability Prefactor", - "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", - "value": 14.4780473369564, - "stdev": 1.56941677163975 - } - } + "range": {"temperature": {"min": 17, "max": 50}}, + "Ead": {"name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 46.16, "stdev": 1.125}, + "Do": {"name": "Diffusivity Prefactor", "units": "cm²/s", "value": 10.00}, + "lnDo": {"name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": 2.303, "stdev": 0.4414}, + "Eas": {"name": "Solubility Activation Energy", "units": "kJ/mol", "value": -1.441, "stdev": 1.382}, + "So": {"name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.00008665}, + "lnSo": {"name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -9.354, "stdev": 0.5420}, + "Eap": {"name": "Permeability Activation Energy", "units": "kJ/mol", "value": 45.75, "stdev": 0.4871}, + "Po": {"name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 11280000}, + "lnPo": {"name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 16.24, "stdev": 0.1912} +} } From 91b8419c4dbb8e2c95cd014170e7ea2d185b3806 Mon Sep 17 00:00:00 2001 From: MDKempe <58960264+MDKempe@users.noreply.github.com> Date: Wed, 31 Dec 2025 15:06:33 -0700 Subject: [PATCH 7/7] Update test_utilities.py Fixed after changes to the O2 permation JSON file. --- tests/test_utilities.py | 136 ++++++++-------------------------------- 1 file changed, 27 insertions(+), 109 deletions(-) diff --git a/tests/test_utilities.py b/tests/test_utilities.py index e40efa2d9..5996c1b23 100644 --- a/tests/test_utilities.py +++ b/tests/test_utilities.py @@ -204,7 +204,7 @@ def test_add_material(tmp_path): "So": 1, "Eap": 1, "Po": 1, - } + } # Ensure the test file exists src_file = os.path.join(DATA_DIR, "O2permeation.json") @@ -253,60 +253,19 @@ def test_read_material_normal(): "alias": "PET-1", "contributor": "Michael Kempe", "source": "unpublished measurements", - "range": {"temperature": {"min": 10, "max": 85}}, + "comment": "Uncertainties computed from a linear regression of ln(P), ln(D), and ln(S) vs 1/T.", "Fickian": True, - "Ead": { - "name": "Diffusivity Activation Energy", - "units": "kJ/mol", - "value": 47.6412046902932, - "stdev": 0.836010716399879, - }, - "Do": { - "name": "Diffusivity Prefactor", - "units": "cm\u00c2\u00b2/s", - "value": 0.561705749061449, - }, - "lnDo": { - "name": "Logarithm of Diffusivity Prefactor", - "units": "ln(cm\u00c2\u00b2/s)", - "value": -0.57677714438584, - "stdev": 0.328180655396844, - }, - "Eas": { - "name": "Solubility Activation Energy", - "units": "kJ/mol", - "value": -16.0578477956147, - "stdev": 1.81625072292457, - }, - "So": { - "name": "Solubility Prefactor", - "units": "g/cm\u00c2\u00b3/atm", - "value": 1.47761656395834e-07, - }, - "lnSo": { - "name": "Logarithm of Solubility Prefactor", - "units": "ln(g/cm\u00c2\u00b3/atm)", - "value": -15.7276652910761, - "stdev": 0.712979320625446, - }, - "Eap": { - "name": "Permeability Activation Energy", - "units": "kJ/mol", - "value": 31.559196935565, - "stdev": 0.998737931730306, - }, - "Po": { - "name": "Permeability Prefactor", - "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", - "value": 707.510576516865, - }, - "lnPo": { - "name": "Logarithm of Permeability Prefactor", - "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", - "value": 6.5617525785461, - "stdev": 0.386931254591448, - }, - } + "range": {"temperature": {"min": 25, "max": 85}}, + "Ead": {"name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 47.64, "stdev": 0.8360}, + "Do": {"name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.5617}, + "lnDo": {"name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -0.5768, "stdev": 0.3282}, + "Eas": {"name": "Solubility Activation Energy", "units": "kJ/mol", "value": -16.06, "stdev": 1.816}, + "So": {"name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.0000001478}, + "lnSo": {"name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -15.73, "stdev": 0.7130}, + "Eap": {"name": "Permeability Activation Energy", "units": "kJ/mol", "value": 31.56, "stdev": 0.9987}, + "Po": {"name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 707.5}, + "lnPo": {"name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 6.562, "stdev": 0.3869} + } template_material = pvdeg.utilities.read_material( pvdeg_file="O2permeation", key="OX002", values_only=False @@ -319,7 +278,7 @@ def test_read_material_property_select_params(): res = { "name": "ST504", "Fickian": True, - } + } template_material = pvdeg.utilities.read_material_property( pvdeg_file="O2permeation", key="OX002", parameters=["name", "Fickian"] @@ -332,7 +291,7 @@ def test_read_material_property_missing_params(): res = { "namenotindict1": None, "namenotindict2": None, - } + } template_material = pvdeg.utilities.read_material_property( pvdeg_file="O2permeation", @@ -349,60 +308,19 @@ def test_read_material_fp_override(): "alias": "PET-1", "contributor": "Michael Kempe", "source": "unpublished measurements", - "range": {"temperature": {"min": 10, "max": 85}}, + "comment": "Uncertainties computed from a linear regression of ln(P), ln(D), and ln(S) vs 1/T.", "Fickian": True, - "Ead": { - "name": "Diffusivity Activation Energy", - "units": "kJ/mol", - "value": 47.6412046902932, - "stdev": 0.836010716399879, - }, - "Do": { - "name": "Diffusivity Prefactor", - "units": "cm\u00c2\u00b2/s", - "value": 0.561705749061449, - }, - "lnDo": { - "name": "Logarithm of Diffusivity Prefactor", - "units": "ln(cm\u00c2\u00b2/s)", - "value": -0.57677714438584, - "stdev": 0.328180655396844, - }, - "Eas": { - "name": "Solubility Activation Energy", - "units": "kJ/mol", - "value": -16.0578477956147, - "stdev": 1.81625072292457, - }, - "So": { - "name": "Solubility Prefactor", - "units": "g/cm\u00c2\u00b3/atm", - "value": 1.47761656395834e-07, - }, - "lnSo": { - "name": "Logarithm of Solubility Prefactor", - "units": "ln(g/cm\u00c2\u00b3/atm)", - "value": -15.7276652910761, - "stdev": 0.712979320625446, - }, - "Eap": { - "name": "Permeability Activation Energy", - "units": "kJ/mol", - "value": 31.559196935565, - "stdev": 0.998737931730306, - }, - "Po": { - "name": "Permeability Prefactor", - "units": "g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm", - "value": 707.510576516865, - }, - "lnPo": { - "name": "Logarithm of Permeability Prefactor", - "units": "ln(g\u00c2\u00b7mm/m\u00c2\u00b2/day/atm)", - "value": 6.5617525785461, - "stdev": 0.386931254591448, - }, - } + "range": {"temperature": {"min": 25, "max": 85}}, + "Ead": {"name": "Diffusivity Activation Energy", "units": "kJ/mol", "value": 47.64, "stdev": 0.8360}, + "Do": {"name": "Diffusivity Prefactor", "units": "cm²/s", "value": 0.5617}, + "lnDo": {"name": "Logarithm of Diffusivity Prefactor", "units": "ln(cm²/s)", "value": -0.5768, "stdev": 0.3282}, + "Eas": {"name": "Solubility Activation Energy", "units": "kJ/mol", "value": -16.06, "stdev": 1.816}, + "So": {"name": "Solubility Prefactor", "units": "g/cm³/atm", "value": 0.0000001478}, + "lnSo": {"name": "Logarithm of Solubility Prefactor", "units": "ln(g/cm³/atm)", "value": -15.73, "stdev": 0.7130}, + "Eap": {"name": "Permeability Activation Energy", "units": "kJ/mol", "value": 31.56, "stdev": 0.9987}, + "Po": {"name": "Permeability Prefactor", "units": "g·mm/m²/day/atm", "value": 707.5}, + "lnPo": {"name": "Logarithm of Permeability Prefactor", "units": "ln(g·mm/m²/day/atm)", "value": 6.562, "stdev": 0.3869} + } template_material = pvdeg.utilities.read_material( pvdeg_file="O2permeation",