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a72baafc77
* Add fluid files with superancillary data * Delete the large generated z-compressed header
4364 lines
133 KiB
JSON
4364 lines
133 KiB
JSON
{
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"ANCILLARIES": {
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"hL": {
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"A": [
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446.03136228538006,
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0.0027825364108064227,
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1.7689619819544185e-09,
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17.253
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12.914,
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18.579
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"_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy",
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},
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"BibTeX": "Mulero-JPCRD-2012",
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"description": "sigma = sum(a_i*(1-T/Tc)^n_i)",
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"n": [
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1.291
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}
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},
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"EOS": [
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{
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"BibTeX_CP0": "",
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"BibTeX_EOS": "Lemmon-JCED-2006",
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"STATES": {
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"T": 650.9250000000001,
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"T_units": "K",
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},
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},
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"sat_min_vapor": {
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"T": 178.0,
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}
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"alpha0": [
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{
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{
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"a": 3,
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{
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1.6994,
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8.0577,
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17.059,
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8.4567,
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8.6423
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1.346852555978031,
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{
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1,
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1,
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2,
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3,
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7,
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2,
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5,
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1,
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4,
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3,
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4
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1,
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1,
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3,
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3
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0.96464,
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0.25,
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1.125,
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1.5,
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0.25,
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0.875,
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1.75,
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}
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"_note": "Coefficients for the critical cubic spline. T = c[0]*rho^3 + c[1]*rho^2 + c[2]*rho + c[3] with rho in mol/m^3 and T in K",
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"cL": [
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1.2106006975063367e-08,
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0.38403809215740176,
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175.87772723873658
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0.00010543398970811022,
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924.07044128592
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"_note": "coefficients are for the function like ln(|rho^A-rhoc|) = sum_i c_i ln(Theta)^i with Theta=(Tc-T)/Tc",
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"cL": [
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5.970327053230825,
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6.858145690850845,
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],
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"rhoc / mol/m^3": 3168.9957823502195
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},
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{
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"rhocrittrue / mol/m^3": 3168.9957823502195
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|
}
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|
}
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|
}
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|
],
|
|
"INFO": {
|
|
"2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=1108",
|
|
"ALIASES": [
|
|
"toluene",
|
|
"TOLUENE"
|
|
],
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|
"CAS": "108-88-3",
|
|
"CHEMSPIDER_ID": 1108,
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|
"ENVIRONMENTAL": {
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|
"ASHRAE34": "UNKNOWN",
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|
"FH": 3,
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"GWP100": 3.3,
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|
"GWP20": -1.0,
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|
"GWP500": -1.0,
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|
"HH": 2,
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|
"Name": "Toluene",
|
|
"ODP": -1.0,
|
|
"PH": 0
|
|
},
|
|
"FORMULA": "C_{7}H_{8}",
|
|
"INCHI_KEY": "YXFVVABEGXRONW-UHFFFAOYSA-N",
|
|
"INCHI_STRING": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",
|
|
"NAME": "Toluene",
|
|
"REFPROP_NAME": "TOLUENE",
|
|
"SMILES": "Cc1ccccc1"
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|
},
|
|
"STATES": {
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|
"critical": {
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|
"T": 591.75,
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|
"T_units": "K",
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|
"hmolar": 52128.923008007296,
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|
"hmolar_units": "J/mol",
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|
"p": 4126000.0,
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|
"p_units": "Pa",
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|
"rhomolar": 3169.0,
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|
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|
"smolar": 104.08995970734496,
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|
"smolar_units": "J/mol/K"
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|
},
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|
"triple_liquid": {
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|
"T": 178.0,
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|
"T_units": "K",
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|
"hmolar": -31778.863711637747,
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|
"hmolar_units": "J/mol",
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|
"p": 0.03939340898242913,
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|
"p_units": "Pa",
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|
"rhomolar": 10580.060481630711,
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|
"rhomolar_units": "mol/m^3",
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|
"smolar": -116.17085719159167,
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|
"smolar_units": "J/mol/K"
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|
},
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|
"triple_vapor": {
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|
"T": 178.0,
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|
"T_units": "K",
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|
"hmolar": 13556.061275657707,
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|
"hmolar_units": "J/mol",
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|
"p": 0.03939340898242913,
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|
"p_units": "Pa",
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|
"rhomolar": 2.6617655285618112e-05,
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|
"rhomolar_units": "mol/m^3",
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|
"smolar": 138.5197326138933,
|
|
"smolar_units": "J/mol/K"
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|
}
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|
},
|
|
"TRANSPORT": {
|
|
"conductivity": {
|
|
"BibTeX": "Assael-JPCRD-2012-Toluene",
|
|
"critical": {
|
|
"GAMMA": 0.05,
|
|
"qD": 1613000000.0,
|
|
"type": "simplified_Olchowy_Sengers",
|
|
"zeta0": 2.2e-10
|
|
},
|
|
"dilute": {
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|
"A": [
|
|
0.0058808,
|
|
-6.1693e-05,
|
|
3.4151e-07,
|
|
-3.042e-10,
|
|
1.2868e-13,
|
|
-2.1303e-17
|
|
],
|
|
"B": [
|
|
1
|
|
],
|
|
"T_reducing": 1,
|
|
"T_reducing_units": "K",
|
|
"m": [
|
|
0
|
|
],
|
|
"n": [
|
|
0,
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|
1,
|
|
2,
|
|
3,
|
|
4,
|
|
5
|
|
],
|
|
"type": "ratio_of_polynomials"
|
|
},
|
|
"residual": {
|
|
"B": [
|
|
-0.051853,
|
|
0.0517449,
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|
0.133846,
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|
-0.121902,
|
|
-0.120446,
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|
0.137748,
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|
0.0530211,
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|
-0.0732792,
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|
-0.0100604,
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|
0.0172914,
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|
0.000633457,
|
|
-0.00138585
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|
],
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|
"T_reducing": 591.75,
|
|
"T_reducing_units": "K",
|
|
"d": [
|
|
1,
|
|
1,
|
|
2,
|
|
2,
|
|
3,
|
|
3,
|
|
4,
|
|
4,
|
|
5,
|
|
5,
|
|
6,
|
|
6
|
|
],
|
|
"rhomass_reducing": 291.992,
|
|
"rhomass_reducing_units": "kg/m^3",
|
|
"t": [
|
|
0,
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|
-1,
|
|
0,
|
|
-1,
|
|
0,
|
|
-1,
|
|
0,
|
|
-1,
|
|
0,
|
|
-1,
|
|
0,
|
|
-1
|
|
],
|
|
"type": "polynomial"
|
|
}
|
|
},
|
|
"viscosity": {
|
|
"BibTeX": "Avgeri-JPCRD-2015-Toluene",
|
|
"dilute": {
|
|
"C": 2.1357e-08,
|
|
"a": [
|
|
0.40108,
|
|
-0.476409,
|
|
0.069442
|
|
],
|
|
"molar_mass": 0.09213842,
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|
"molar_mass_units": "kg/mol",
|
|
"t": [
|
|
0,
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|
1,
|
|
3
|
|
],
|
|
"type": "collision_integral"
|
|
},
|
|
"epsilon_over_k": 472,
|
|
"epsilon_over_k_units": "K",
|
|
"higher_order": {
|
|
"hardcoded": "Toluene"
|
|
},
|
|
"initial_density": {
|
|
"b": [
|
|
-19.572881,
|
|
219.73999,
|
|
-1015.3226,
|
|
2471.01251,
|
|
-3375.1717,
|
|
2491.6597,
|
|
-787.26086,
|
|
14.085455,
|
|
-0.34664158
|
|
],
|
|
"t": [
|
|
0,
|
|
-0.25,
|
|
-0.5,
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|
-0.75,
|
|
-1.0,
|
|
-1.25,
|
|
-1.5,
|
|
-2.5,
|
|
-5.5
|
|
],
|
|
"type": "Rainwater-Friend"
|
|
},
|
|
"sigma_eta": 5.24e-10,
|
|
"sigma_eta_units": "m"
|
|
}
|
|
}
|
|
} |