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a72baafc77
* Add fluid files with superancillary data * Delete the large generated z-compressed header
4620 lines
138 KiB
JSON
4620 lines
138 KiB
JSON
{
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"ANCILLARIES": {
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"hL": {
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"A": [
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280.58777538383487,
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0.49685910535106487,
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2.330377041868759e-05,
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6.142566392916227e-11,
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"Tmax": 469.6,
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"_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy",
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42880.50966779205,
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0.009903938566591382,
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9.454236859411337e-08,
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5.86920443533605e-14
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"type": "rational_polynomial"
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"melting_line": {
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"BibTeX": "Reeves-JCP-1964",
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"T_m": 143.26,
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"_note": "Modified coefficients to make minimum state agree with triple point",
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"parts": [
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{
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1.0,
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1.5,
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5.5,
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7.1,
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11.0
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0.83,
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17.5
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1.484,
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3.87,
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17.33
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"type": "rhoV",
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"type": "rational_polynomial"
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},
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"surface_tension": {
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"BibTeX": "Mulero-JPCRD-2012",
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"Tc": 469.7,
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0.08015,
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0.004384,
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],
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"description": "sigma = sum(a_i*(1-T/Tc)^n_i)",
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1.408,
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1.031,
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1.818
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}
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},
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"EOS": [
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{
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"STATES": {
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}
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{
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{
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1,
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7
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"type": "ResidualHelmholtzPower"
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1,
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3,
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2
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1.196,
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0.617
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1.01,
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1.08,
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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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"rhoc / mol/m^3": 3209.991955032091
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"Treducing / K": 469.7,
|
|
"Ttriple / K": 143.47,
|
|
"gas_constant / J/mol/K": 8.3144598,
|
|
"rhocrittrue / mol/m^3": 3209.991955032091
|
|
}
|
|
}
|
|
},
|
|
{
|
|
"BibTeX_CP0": "Jaeschke-IJT-1995",
|
|
"BibTeX_EOS": "Span-IJT-2003B",
|
|
"STATES": {
|
|
"hs_anchor": {
|
|
"T": 516.6700000000001,
|
|
"T_units": "K",
|
|
"hmolar": 48110.14828842092,
|
|
"hmolar_units": "J/mol",
|
|
"p": 5578204.572176031,
|
|
"p_units": "Pa",
|
|
"rhomolar": 2894.0198295799323,
|
|
"rhomolar_units": "mol/m^3",
|
|
"smolar": 113.50504419519663,
|
|
"smolar_units": "J/mol/K"
|
|
},
|
|
"reducing": {
|
|
"T": 469.7,
|
|
"T_units": "K",
|
|
"hmolar": 37561.10567308114,
|
|
"hmolar_units": "J/mol",
|
|
"p": 3370000,
|
|
"p_units": "Pa",
|
|
"rhomolar": 3215.577588422147,
|
|
"rhomolar_units": "mol/m^3",
|
|
"smolar": 93.56559800555729,
|
|
"smolar_units": "J/mol/K"
|
|
},
|
|
"sat_min_liquid": {
|
|
"T": 143.47,
|
|
"T_units": "K",
|
|
"hmolar": -25091.537148819258,
|
|
"hmolar_units": "J/mol",
|
|
"p": 0.07632218449133073,
|
|
"p_units": "Pa",
|
|
"rhomolar": 10566.403034046356,
|
|
"rhomolar_units": "mol/m^3",
|
|
"smolar": -114.87359084322038,
|
|
"smolar_units": "J/mol/K"
|
|
},
|
|
"sat_min_vapor": {
|
|
"T": 143.47,
|
|
"T_units": "K",
|
|
"hmolar": 9535.953964461274,
|
|
"hmolar_units": "J/mol",
|
|
"p": 0.07632218449133073,
|
|
"p_units": "Pa",
|
|
"rhomolar": 6.398134604459582e-05,
|
|
"rhomolar_units": "mol/m^3",
|
|
"smolar": 126.48342412292618,
|
|
"smolar_units": "J/mol/K"
|
|
}
|
|
},
|
|
"T_max": 600,
|
|
"T_max_units": "K",
|
|
"Ttriple": 143.47,
|
|
"Ttriple_units": "K",
|
|
"acentric": 0.251,
|
|
"acentric_units": "-",
|
|
"alpha0": [
|
|
{
|
|
"a1": -1.548185641277708,
|
|
"a2": 0,
|
|
"type": "IdealGasHelmholtzLead"
|
|
},
|
|
{
|
|
"a": -1,
|
|
"type": "IdealGasHelmholtzLogTau"
|
|
},
|
|
{
|
|
"T0": 298,
|
|
"Tc": 469.7,
|
|
"c": [
|
|
4,
|
|
8.95043,
|
|
178.67,
|
|
21.836,
|
|
840.538
|
|
],
|
|
"type": "IdealGasHelmholtzCP0AlyLee"
|
|
},
|
|
{
|
|
"T0": 298,
|
|
"Tc": 469.7,
|
|
"c": [
|
|
0,
|
|
33.4032,
|
|
1774.25,
|
|
0,
|
|
0
|
|
],
|
|
"type": "IdealGasHelmholtzCP0AlyLee"
|
|
},
|
|
{
|
|
"a1": 4.12081292405308,
|
|
"a2": 3.14199957169349,
|
|
"reference": "NBP",
|
|
"type": "IdealGasHelmholtzEnthalpyEntropyOffset"
|
|
}
|
|
],
|
|
"alphar": [
|
|
{
|
|
"d": [
|
|
1,
|
|
1,
|
|
1,
|
|
2,
|
|
3,
|
|
7,
|
|
2,
|
|
5,
|
|
1,
|
|
4,
|
|
3,
|
|
4
|
|
],
|
|
"l": [
|
|
0,
|
|
0,
|
|
0,
|
|
0,
|
|
0,
|
|
0,
|
|
1,
|
|
1,
|
|
2,
|
|
2,
|
|
3,
|
|
3
|
|
],
|
|
"n": [
|
|
1.0968643,
|
|
-2.9988888,
|
|
0.99516887,
|
|
-0.16170709,
|
|
0.1133446,
|
|
0.00026760595,
|
|
0.40979882,
|
|
-0.040876423,
|
|
-0.38169482,
|
|
-0.10931957,
|
|
-0.032073223,
|
|
0.016877016
|
|
],
|
|
"t": [
|
|
0.25,
|
|
1.125,
|
|
1.5,
|
|
1.375,
|
|
0.25,
|
|
0.875,
|
|
0.625,
|
|
1.75,
|
|
3.625,
|
|
3.625,
|
|
14.5,
|
|
12
|
|
],
|
|
"type": "ResidualHelmholtzPower"
|
|
}
|
|
],
|
|
"critical_region_splines": {
|
|
"T_max": 469.70000000000005,
|
|
"T_min": 469.36685791273345,
|
|
"_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",
|
|
"cL": [
|
|
-1.1076982598336214e-09,
|
|
1.0116271697455407e-05,
|
|
-0.03069871503131287,
|
|
500.6421885129799
|
|
],
|
|
"cV": [
|
|
4.3055773822385574e-10,
|
|
-5.541145426556296e-06,
|
|
0.022280143554586573,
|
|
441.03601546584997
|
|
],
|
|
"rhomolar_max": 3750.9260751689894,
|
|
"rhomolar_min": 2757.127555479338
|
|
},
|
|
"gas_constant": 8.31451,
|
|
"gas_constant_units": "J/mol/K",
|
|
"molar_mass": 0.07214878,
|
|
"molar_mass_units": "kg/mol",
|
|
"p_max": 69000000,
|
|
"p_max_units": "Pa",
|
|
"pseudo_pure": false
|
|
}
|
|
],
|
|
"INFO": {
|
|
"2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=7712",
|
|
"ALIASES": [
|
|
"nPentane",
|
|
"Pentane",
|
|
"PENTANE",
|
|
"N-PENTANE",
|
|
"R601",
|
|
"NC5H12",
|
|
"n-C5H12"
|
|
],
|
|
"CAS": "109-66-0",
|
|
"CHEMSPIDER_ID": 7712,
|
|
"ENVIRONMENTAL": {
|
|
"ASHRAE34": "UNKNOWN",
|
|
"FH": 4,
|
|
"GWP100": -1.0,
|
|
"GWP20": -1.0,
|
|
"GWP500": -1.0,
|
|
"HH": 2,
|
|
"Name": "n-Pentane",
|
|
"ODP": -1.0,
|
|
"PH": 0
|
|
},
|
|
"FORMULA": "C_{5}H_{12}",
|
|
"INCHI_KEY": "OFBQJSOFQDEBGM-UHFFFAOYSA-N",
|
|
"INCHI_STRING": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3",
|
|
"NAME": "n-Pentane",
|
|
"REFPROP_NAME": "PENTANE",
|
|
"SMILES": "CCCCC"
|
|
},
|
|
"STATES": {
|
|
"critical": {
|
|
"T": 469.70000000000005,
|
|
"T_units": "K",
|
|
"hmolar": 37525.98593386089,
|
|
"hmolar_units": "J/mol",
|
|
"p": 3367518.9947363394,
|
|
"p_units": "Pa",
|
|
"rhomolar": 3215.5775884221466,
|
|
"rhomolar_units": "mol/m^3",
|
|
"smolar": 93.45901397511179,
|
|
"smolar_units": "J/mol/K"
|
|
},
|
|
"triple_liquid": {
|
|
"T": 143.47,
|
|
"T_units": "K",
|
|
"hmolar": -25009.897222205076,
|
|
"hmolar_units": "J/mol",
|
|
"p": 0.0780280732735637,
|
|
"p_units": "Pa",
|
|
"rhomolar": 10584.356627782587,
|
|
"rhomolar_units": "mol/m^3",
|
|
"smolar": -114.44787945055418,
|
|
"smolar_units": "J/mol/K"
|
|
},
|
|
"triple_vapor": {
|
|
"T": 143.47,
|
|
"T_units": "K",
|
|
"hmolar": 9441.240046730052,
|
|
"hmolar_units": "J/mol",
|
|
"p": 0.0780280732735637,
|
|
"p_units": "Pa",
|
|
"rhomolar": 6.541166380079072e-05,
|
|
"rhomolar_units": "mol/m^3",
|
|
"smolar": 125.67993311608102,
|
|
"smolar_units": "J/mol/K"
|
|
}
|
|
},
|
|
"TRANSPORT": {
|
|
"conductivity": {
|
|
"BibTeX": "Vassiliou-JPCRD-2015-pentanes",
|
|
"critical": {
|
|
"GAMMA": 0.058,
|
|
"R0": 1.02,
|
|
"gamma": 1.239,
|
|
"qD": 1497005988.0239522,
|
|
"type": "simplified_Olchowy_Sengers",
|
|
"zeta0": 2.27e-10
|
|
},
|
|
"dilute": {
|
|
"A": [
|
|
-0.00396685,
|
|
0.0353805,
|
|
0.00511554,
|
|
-0.108585,
|
|
0.179573,
|
|
0.0392128
|
|
],
|
|
"B": [
|
|
2.71636,
|
|
-5.76265,
|
|
6.77885,
|
|
-0.59135,
|
|
1
|
|
],
|
|
"T_reducing": 469.7,
|
|
"T_reducing_units": "K",
|
|
"m": [
|
|
0,
|
|
1,
|
|
2,
|
|
3,
|
|
4
|
|
],
|
|
"n": [
|
|
0,
|
|
1,
|
|
2,
|
|
3,
|
|
4,
|
|
5
|
|
],
|
|
"type": "ratio_of_polynomials"
|
|
},
|
|
"residual": {
|
|
"B": [
|
|
0.000776054,
|
|
0.00797696,
|
|
0.117655,
|
|
-0.0785888,
|
|
-0.133101,
|
|
0.0916089,
|
|
0.0534026,
|
|
-0.0370431,
|
|
-0.0068793,
|
|
0.0050962
|
|
],
|
|
"T_reducing": 469.7,
|
|
"T_reducing_units": "K",
|
|
"d": [
|
|
1,
|
|
1,
|
|
2,
|
|
2,
|
|
3,
|
|
3,
|
|
4,
|
|
4,
|
|
5,
|
|
5
|
|
],
|
|
"rhomass_reducing": 232.0,
|
|
"rhomass_reducing_units": "kg/m^3",
|
|
"t": [
|
|
0,
|
|
-1,
|
|
0,
|
|
-1,
|
|
0,
|
|
-1,
|
|
0,
|
|
-1,
|
|
0,
|
|
-1
|
|
],
|
|
"type": "polynomial"
|
|
}
|
|
},
|
|
"viscosity": {
|
|
"BibTeX": "QuinonesCisneros-JPCB-2006",
|
|
"dilute": {
|
|
"T_reducing": 469.7,
|
|
"a": [
|
|
1.76805e-05,
|
|
-5.56942e-05,
|
|
4.87177e-05,
|
|
0.0
|
|
],
|
|
"t": [
|
|
0,
|
|
0.25,
|
|
0.5,
|
|
0.75
|
|
],
|
|
"type": "powers_of_Tr"
|
|
},
|
|
"epsilon_over_k": 341.1,
|
|
"epsilon_over_k_units": "K",
|
|
"higher_order": {
|
|
"Aa": [
|
|
1.08193e-08,
|
|
-4.71699e-08,
|
|
0
|
|
],
|
|
"Aaa": [
|
|
-2.10025e-13,
|
|
-1.56583e-12,
|
|
0.0
|
|
],
|
|
"Adrdr": [
|
|
1.98521e-11,
|
|
2.05972e-12,
|
|
0.0
|
|
],
|
|
"Ai": [
|
|
-5.08307e-08,
|
|
-1.07e-08,
|
|
0.0
|
|
],
|
|
"Aii": [
|
|
-1.18487e-10,
|
|
1.69571e-10,
|
|
0.0
|
|
],
|
|
"Ar": [
|
|
1.21502e-07,
|
|
-9.84766e-08,
|
|
0.0
|
|
],
|
|
"Na": 1,
|
|
"Naa": 3,
|
|
"Nii": 3,
|
|
"Nr": 1,
|
|
"Nrr": 3,
|
|
"T_reduce": 469.7,
|
|
"_note": "Typo in paper for Aa[1], taking the value from REFPROP 9.1 fluid file. Also, sign of Ai[0] seems backwards, using value from REFPROP 9.1",
|
|
"c1": 1,
|
|
"c2": 1,
|
|
"type": "friction_theory"
|
|
},
|
|
"sigma_eta": 5.784e-10,
|
|
"sigma_eta_units": "m"
|
|
}
|
|
}
|
|
} |