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add alkene components #981

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merged 2 commits into from
Apr 15, 2024
Merged

add alkene components #981

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eccf848
add ethylene
EvenSol Apr 15, 2024
14dbda5
update components
EvenSol Apr 15, 2024
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7 changes: 6 additions & 1 deletion src/main/resources/data/COMP.csv
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Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -193,4 +193,9 @@
1185,"trans-14-DM-cy-C6","2207-04-7","HC",147,"C",112.220000000,0.422182073,316.667016601,29.640000000,0.233980000,119.356011962,16.043000000,99.000000000,"Classic",66909.600000000,-68.400000000,0.897300000,-0.000513700,0.000000109,0.000000000,"log",39.205000000,-1324.400000000,-3.436600000,0.000031019,2.000000000,0.000000000,0.000000000,0.000000000,0.000000000,2.520000000,155.809006022,0.406998625,3,-26.870000000,1150.000000000,0.187000000,-0.000521000,-50500.000000000,2.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0,"solute",900.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.303000000,-0.000605000,-0.000003200,77.300000000,941.000000000,452.000000000,0.116656057,90.690000000,90.650000000,-74520.000000000,186.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,10200000.0000000,0.261000000,-0.147000000,0.222000000,0.000000000,0.100000000,0.585700000,-0.720600000,1.289900000,0.000000000,0.000000000,0.000000000,0.122841598,0.914470789,2.741978611,0,"0",0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,4.186260000,1,1.000000000,-6.680820000,0.000000000,9700,0.000015293,0.047920000,1594.000000000,0.012440000,2952.000000000,0.002317000,2777.000000000,1.076000000,1323.000000000,"yes",1.000000000,3.703900119,150.029998779,0.000000000,0.000000000,3.190710941,155.809006022,0.406998625,1.000000000,0,900.000000000,0.000621000,2760.000000000,0.421000000,1963.100000000,0.004048680,2636.750000000,0.295270000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.628820000,0.701140000,-0.784370000,0.000000000
1186,"PG","57-55-6","glycol",1186,"propyleneglycol",76.095000000,1.036000000,352.850000000,61.000000000,1.102000000,188.200000000,76.095000000,239.000000000,"Classic",32022.600000000,35.700000000,0.248400000,-0.000149700,0.000000030,0.000000000,"exp",13.629900000,6022.180000000,-28.250000000,0.000000000,0.000000000,2.308200000,0.215000000,0.248800000,0.000000000,3.626000000,481.800000000,0.000000000,3,-23.155244944,5694.484212533,0.023081509,0.000000000,57900.000000000,-19.290540000,29814.530000000,-0.019678500,0.013189000,0.031144000,0,"solvent",0.000000000,0.000000000,0.000000000,0.000000000,0.654009012,-3.955117195,3.671191916,0.517338954,-0.000798169,0.000000064,133.328650000,9958.000000000,904.000000000,0.000002420,260.150000000,260.150000000,-388000.000000000,324.000000000,21.400000000,0.000000000,0.000000000,0.000000000,0.000000000,1.315100000,0.251250000,719.700000000,0.218700000,0.000000000,82900000.0000000,0.427000000,0.000000000,0.000000000,0.000000000,1.117000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,4,"4C",0.000000000,0.000000000,0.019000000,17442.000000000,138360.000000000,6.750000000,0.937200000,108190.000000000,5.140000000,0.674400000,0.051400000,1,17.090887000,-7800.000000000,0.000000000,0,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,"no",0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,3.626000000,481.800000000,0.000000000,1.000000000,0,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,35540.000000000,436.780000000,-0.184860000,0.000000000,0.000000000,35540.000000000,436.780000000,-0.184860000,0.000000000,0.000000000,0.910030000,1.349960000,-1.890020000,151.817427819
1187,"ammonia","7664-41-7","other",1187,"NH3",17.031,0.73,132.25,113.0,0.250,-33.35,17.031,99.000000000,"Classic",11133.000000000,39.192196000,-0.058081604,0.000350102,-0.000000369,1.276199e-10,"pow10",5.202770000,1580.080000000,239.500000000,0.000000000,0.000000000,1.700000000,0.215000000,0.200000000,0.000000000,3.626000000,481.800000000,0.000000000,3,-39.350000000,4826.000000000,0.109100000,-0.000113000,57900.000000000,-19.290500000,29814.500000000,-0.019678000,0.013189000,0.031144000,0,"solvent",0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,-0.384000000,0.005250000,-0.000006370,73.069489067,3177.000000000,1000.000000000,0.006110000,175.500000000,175.500000000,-242000.000000000,189.000000000,30.585000000,0.000000000,0.000000000,0.000000000,0.000000000,2.288000000,0.268500000,512.640000000,0.245300000,0.000000000,52100000.0000000,0.320000000,-0.212000000,0.258000000,0.000000000,0.797000000,1.437100000,-0.799420000,0.327800000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,2,"2B",0.000000000,0.000000000,0.016100000,24591.000000000,40531.000000000,3.097800000,0.431020000,47052.000000000,3.300000000,0.903700000,0.044900000,1,17.387107060,-7582.406220000,0.000000000,0,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,"no",1.525500000,3.230000000,188.900000000,0.035176000,24106.443000000,3.626000000,481.800000000,0.000000000,1.000000000,0,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,0.000000000,-12706.000000000,958.780000000,-5.233200000,0.013152000,0.000000000,105800.000000000,-362.230000000,0.937900000,0.000000000,0.000000000,1.224003000,-0.273500000,-0.398230000,87.543852818
1188,"chlorine",7782-50-5,chlorine,195,Cl2,70.906,1.5326431958562459,143.71540000000005,76.424,0.07,-33.952362112999964,70.906,124.069478908,Classic,0.0,25.4089891488,0.04465530069384,-6.73304954604e-05,4.73342196414e-08,-1.268453987088e-11,pow10KPa,9.0628,861.34,-26.82,0.0,0.0,0.0,0.215,0.2767,0.0,4.217,316.0,0.5203667,1,0.0,0.0,0.0,0.0,0.0,8.16976,0.0,0.0,0.0,0.0,0,solute,900.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,207.0,6400.0,1532.643195856246,0.013808478434799999,172.17,172.15,0.0,223.1,2.92,0.0,0.0,0.0,0.0,2.92,0.0,0.0,0.0,0.0,20280.90073241057,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,1A,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1,0.0,0.0,0.0,6500.0,1.8927555303529247e-05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,no,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0
1188,"chlorine",7782-50-5,chlorine,195,Cl2,70.906,1.5326431958562459,143.71540000000005,76.424,0.07,-33.952362112999964,70.906,124.069478908,Classic,0.0,25.4089891488,0.04465530069384,-6.73304954604e-05,4.73342196414e-08,-1.268453987088e-11,pow10KPa,9.0628,861.34,-26.82,0.0,0.0,0.0,0.215,0.2767,0.0,4.217,316.0,0.5203667,1,0.0,0.0,0.0,0.0,0.0,8.16976,0.0,0.0,0.0,0.0,0,solute,900.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,207.0,6400.0,1532.643195856246,0.013808478434799999,172.17,172.15,0.0,223.1,2.92,0.0,0.0,0.0,0.0,2.92,0.0,0.0,0.0,0.0,20280.90073241057,0.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0,1A,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,1,0.0,0.0,0.0,6500.0,1.8927555303529247e-05,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,no,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0
1189,"ethylene",74-85-1,"ethylene",196,C2H4,28.05316,0.5665875959429861,9.200000000000045,50.418,0.0866,-103.77135156599996,28.05316,130.945481716,Classic,52560.0,35.0953348158,-0.0730175859636,0.00048182294541,-5.59479999942e-07,2.08776085578e-10,pow10KPa,8.91382,596.526,-16.78,0.0,0.0,0.0,0.215,0.2815,0.0,4.04838,169.08,0.7657779,3350.0,0.00121961941966,103.986,566.5875959429861,104.05,52560.0,9.627551137738643e-06,3450.0,13556.576228246833,0.0,0.0,0.0,0.0,2.92,0.0,0.0,0.0,0.0,2.92,0.0,0.0,0.0,0.0,219.3,no,1,207.0,8.16976,solute,900.0,0,1A,1,0,0.0,0.0,0.0,0.0,0.0,1.0
1190,"propene",115-07-1,"propene",197,C3H6,42.07974,0.6071797165485592,91.06100000000004,45.55,0.146,-47.61912875399997,42.07974,183.250870442,Classic,20370.0,31.8776388732,0.0323681920014,0.00038978187542399996,-4.99948467774e-07,1.89819117234e-10,pow10KPa,8.95606,789.624,-25.57,0.0,0.0,0.36,0.215,0.2779,0.0,4.4902,282.43,1.1051818500000001,3003.0,7.471717723549999e-09,87.953,607.1797165485592,88.075,20370.0,1.0561747100848501e-05,3103.0,18504.676899839127,0.0,0.0,0.0,0.0,2.92,0.0,0.0,0.0,0.0,2.92,0.0,0.0,0.0,0.0,266.71,no,1,207.0,8.16976,solute,900.0,0,1A,1,0,0.0,0.0,0.0,0.0,0.0,1.0
1191,"cis-butene",590-18-1,"cis-butene",198,C4H8,56.10632,0.6301087082074909,162.60000000000002,42.255,0.202,3.7235553570000093,56.10632,235.626767201,Classic,-7330.0,30.6720422022,0.1595045968032,0.00018541245354,-2.8485339274799996e-07,1.04429615088e-10,pow10KPa,9.00958,967.32,-35.277,0.0,0.0,0.26,0.215,0.2701,0.0,3.82,132.0,1.4164999999999999,7310.0,2.6364927810099997e-06,134.3,630.1087082074908,134.26,-7330.0,1.1258595759827091e-05,7410.0,23322.437236388218,0.0,0.0,0.0,0.0,2.92,0.0,0.0,0.0,0.0,2.92,0.0,0.0,0.0,0.0,301.17,no,1,207.0,8.16976,solute,900.0,0,1A,1,0,0.0,0.0,0.0,0.0,0.0,1.0
1192,"trans-butene",624-64-6,"trans-butene",199,C4H8,56.10632,0.6247637226336263,155.46000000000004,40.273,0.21,0.8798965720000069,56.10632,237.360550676,Classic,-11180.0,46.42794352319999,-0.040657708422,0.0007593596135339999,-9.1251196305e-07,3.3964568283e-10,pow10KPa,9.00827,967.5,-32.31,0.0,0.0,0.0,0.215,0.272,0.0,3.82,132.0,1.367,9760.0,0.0007481658101809999,167.6,624.7637226336263,167.63,-11180.0,1.0933788266236188e-05,9860.0,22984.99404781112,0.0,0.0,0.0,0.0,2.92,0.0,0.0,0.0,0.0,2.92,0.0,0.0,0.0,0.0,296.48,no,1,207.0,8.16976,solute,900.0,0,1A,1,0,0.0,0.0,0.0,0.0,0.0,1.0
1193,"iso-butene",115-11-7,"iso-butene",200,C4H8,56.10632,0.6172935303955316,144.94,40.098,0.193,-7.004207835999978,56.10632,239.80815347700002,Classic,-17600.0,26.8640196138,0.1741796183502,0.000192313455174,-3.28338017502e-07,1.30204440468e-10,pow10KPa,8.80956,866.25,-38.51,0.0,0.0,0.5,0.215,0.2728,0.0,3.82,132.0,1.4375,5920.0,6.7618898108400006e-06,132.4,617.2935303955315,132.95,-17600.0,1.0947338969965856e-05,6020.0,22077.0419048734,0.0,0.0,0.0,0.0,2.92,0.0,0.0,0.0,0.0,2.92,0.0,0.0,0.0,0.0,293.59,no,1,207.0,8.16976,solute,900.0,0,1A,1,0,0.0,0.0,0.0,0.0,0.0,1.0
8 changes: 8 additions & 0 deletions src/test/java/neqsim/thermo/component/NewComponentTest.java
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -59,4 +59,12 @@ public void newComponentTest() {
assertEquals(0.01703052, thermoSystem.getMolarMass("kg/mol"), 0.01);
assertEquals(405.4, thermoSystem.getComponent(0).getTC(), 0.01);
}

@Test
public void newComponentIsoButeneTest() {
thermoSystem = new SystemSrkEos(298.0, ThermodynamicConstantsInterface.referencePressure);
thermoSystem.addComponent("iso-butene", 1.0);
thermoSystem.init(0);
assertEquals(56.10632e-3, thermoSystem.getMolarMass("kg/mol"), 0.01);
}
}