Files
CoolProp/dev/fluids/n-Hexane.json
2019-06-29 15:53:16 -06:00

765 lines
17 KiB
JSON

{
"ANCILLARIES": {
"hL": {
"A": [
-109549.16319775015,
178.49887699475113,
1.7337784147884963,
-0.011020081436100662,
3.5876260168349e-05,
-6.834220225485003e-08,
6.988896742647394e-11,
-3.0035522883888663e-14
],
"B": [
1,
-0.0019557266892691522
],
"Tmax": 507.71999999999997,
"Tmin": 177.83,
"_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy",
"max_abs_error": 140.81089039614017,
"max_abs_error_units": "J/mol",
"type": "rational_polynomial"
},
"hLV": {
"A": [
34004.30172003677,
219.25652175504783,
-3.8455463085393946,
0.022490163673240176,
-7.365586160686657e-05,
1.4018253366847078e-07,
-1.452095083431672e-10,
6.379357156122549e-14
],
"B": [
1,
-0.001948495900608012
],
"Tmax": 507.71999999999997,
"Tmin": 177.83,
"_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy",
"max_abs_error": 627.5395677043261,
"max_abs_error_units": "J/mol",
"type": "rational_polynomial"
},
"pS": {
"T_r": 507.82,
"Tmax": 507.82,
"Tmin": 177.83,
"description": "p' = pc*exp(Tc/T*sum(n_i*theta^t_i))",
"max_abserror_percentage": 0.286473563774603,
"n": [
-7.654,
2.7644,
-2.285,
-3.719,
-1.646
],
"reducing_value": 3044100.0,
"t": [
1.0,
1.5,
1.9,
4.08,
15.45
],
"type": "pL",
"using_tau_r": true
},
"rhoL": {
"T_r": 507.82,
"Tmax": 507.82,
"Tmin": 177.83,
"description": "rho' = rhoc*(1+sum(n_i*theta^t_i))",
"max_abserror_percentage": 0.9024344840601106,
"n": [
2.302,
0.3493,
0.9563,
-1.543,
1.0452
],
"reducing_value": 2706,
"t": [
0.373,
1.068,
3.993,
5.36,
6.87
],
"type": "rhoLnoexp",
"using_tau_r": false
},
"rhoV": {
"T_r": 507.82,
"Tmax": 507.82,
"Tmin": 177.83,
"description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))",
"max_abserror_percentage": 1.0104195769602642,
"n": [
-3.4056,
-7.5474,
-22.828,
-57.063,
-125.0,
-265.5
],
"reducing_value": 2706,
"t": [
0.419,
1.355,
3.473,
7.1,
15.0,
30.0
],
"type": "rhoV",
"using_tau_r": true
},
"sL": {
"A": [
-528.2978455025191,
3.6593435030013266,
-0.013969735074159375,
3.695736566875028e-05,
-5.9495229840733465e-08,
4.5909379106299206e-11,
-3.8189768539620335e-15,
-1.0999724953164165e-17
],
"B": [
1,
-0.0019559157780620466
],
"Tmax": 507.71999999999997,
"Tmin": 177.83,
"_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy",
"max_abs_error": 0.2693707108989116,
"max_abs_error_units": "J/mol/K",
"type": "rational_polynomial"
},
"sLV": {
"A": [
1137.9177641890615,
-14.499189458054834,
0.09182511733662453,
-0.0003506521578794153,
8.360760135305252e-07,
-1.2194502719255653e-09,
9.960072773880886e-13,
-3.484344371702608e-16
],
"B": [
1,
-0.0019427750132305357
],
"Tmax": 507.71999999999997,
"Tmin": 177.83,
"_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy",
"max_abs_error": 1.5303408398691487,
"max_abs_error_units": "J/mol/K",
"type": "rational_polynomial"
},
"surface_tension": {
"BibTeX": "Mulero-JPCRD-2012",
"Tc": 507.82,
"a": [
0.210952,
-0.158485
],
"description": "sigma = sum(a_i*(1-T/Tc)^n_i)",
"n": [
1.0962,
1.05893
]
}
},
"EOS": [
{
"BibTeX_CP0": "",
"BibTeX_EOS": "Thol-FPE-2019-alkanes-hexane",
"STATES": {
"hs_anchor": {
"T": 558.6020000000001,
"T_units": "K",
"hmolar": 61207.98894261457,
"hmolar_units": "J/mol",
"p": 5120339.66818283,
"p_units": "Pa",
"rhomolar": 2435.4,
"rhomolar_units": "mol/m^3",
"smolar": 133.0599119245496,
"smolar_units": "J/mol/K"
},
"reducing": {
"T": 507.82,
"T_units": "K",
"hmolar": 47136.8324687349,
"hmolar_units": "J/mol",
"p": 3044115.328359688,
"p_units": "Pa",
"rhomolar": 2706,
"rhomolar_units": "mol/m^3",
"smolar": 108.16200205359627,
"smolar_units": "J/mol/K"
},
"sat_min_liquid": {
"T": 177.83,
"T_units": "K",
"hmolar": -30535.13547951443,
"hmolar_units": "J/mol",
"p": 1.1889790696279698,
"p_units": "Pa",
"rhomolar": 8801.554295434455,
"rhomolar_units": "mol/m^3",
"smolar": -120.09120604410411,
"smolar_units": "J/mol/K"
},
"sat_min_vapor": {
"T": 177.83,
"T_units": "K",
"hmolar": 8039.074385755907,
"hmolar_units": "J/mol",
"p": 1.1889790696279698,
"p_units": "Pa",
"rhomolar": 0.0008041501643579273,
"rhomolar_units": "mol/m^3",
"smolar": 96.82500531095654,
"smolar_units": "J/mol/K"
}
},
"T_max": 600,
"T_max_units": "K",
"Ttriple": 177.83,
"Ttriple_units": "K",
"acentric": 0.3003189315498438,
"acentric_units": "-",
"alpha0": [
{
"a1": 12.313791358169851,
"a2": -1.3163412546284243,
"type": "IdealGasHelmholtzLead"
},
{
"a": 3,
"type": "IdealGasHelmholtzLogTau"
},
{
"n": [
9.21,
6.04,
25.3,
10.96
],
"t": [
0.3741483202709622,
5.9076050569099285,
2.9538025284549643,
8.861407585364892
],
"type": "IdealGasHelmholtzPlanckEinstein"
}
],
"alphar": [
{
"d": [
4,
1,
1,
2,
3,
1,
3,
2,
2,
7
],
"l": [
0,
0,
0,
0,
0,
2,
2,
1,
2,
1
],
"n": [
0.0446249,
1.740621,
-2.050688,
-0.7724346,
0.2116422,
-3.187864,
-1.134719,
0.6817086,
-1.111314,
-0.02377251
],
"t": [
1.0,
0.303,
0.845,
1.055,
0.523,
1.48,
2.06,
1.19,
1.883,
0.98
],
"type": "ResidualHelmholtzPower"
},
{
"beta": [
0.7,
0.52,
0.69,
0.88,
180.0
],
"d": [
1,
3,
2,
2,
1
],
"epsilon": [
0.767,
0.707,
0.692,
0.46,
0.92
],
"eta": [
0.864,
1.094,
0.751,
1.062,
6.6
],
"gamma": [
1.21,
1.13,
1.0,
0.82,
1.14
],
"n": [
3.744662,
-0.4322223,
-0.8054799,
-1.055577,
-0.02932639
],
"t": [
0.94,
1.47,
1.11,
0.895,
1.73
],
"type": "ResidualHelmholtzGaussian"
}
],
"gas_constant": 8.3144598,
"gas_constant_units": "J/mol/K",
"molar_mass": 0.08617535999999999,
"molar_mass_units": "kg/mol",
"p_max": 92000000,
"p_max_units": "Pa",
"pseudo_pure": false
},
{
"BibTeX_CP0": "Jaeschke-IJT-1995",
"BibTeX_EOS": "Span-IJT-2003B",
"STATES": {
"hs_anchor": {
"T": 558.6020000000001,
"T_units": "K",
"hmolar": 60693.23817980972,
"hmolar_units": "J/mol",
"p": 5087203.30170194,
"p_units": "Pa",
"rhomolar": 2435.290087560992,
"rhomolar_units": "mol/m^3",
"smolar": 131.96355713811727,
"smolar_units": "J/mol/K"
},
"reducing": {
"T": 507.82,
"T_units": "K",
"hmolar": 46834.396573794875,
"hmolar_units": "J/mol",
"p": 3034000,
"p_units": "Pa",
"rhomolar": 2705.877875067769,
"rhomolar_units": "mol/m^3",
"smolar": 107.45032604852057,
"smolar_units": "J/mol/K"
},
"sat_min_liquid": {
"T": 177.83,
"T_units": "K",
"hmolar": -30053.28085595833,
"hmolar_units": "J/mol",
"p": 1.27714039263984,
"p_units": "Pa",
"rhomolar": 8839.379285343,
"rhomolar_units": "mol/m^3",
"smolar": -117.98523285446188,
"smolar_units": "J/mol/K"
},
"sat_min_vapor": {
"T": 177.83,
"T_units": "K",
"hmolar": 8049.720962627156,
"hmolar_units": "J/mol",
"p": 1.27714039263984,
"p_units": "Pa",
"rhomolar": 0.0008637746286042623,
"rhomolar_units": "mol/m^3",
"smolar": 96.28121154034889,
"smolar_units": "J/mol/K"
}
},
"T_max": 600,
"T_max_units": "K",
"Ttriple": 177.83,
"Ttriple_units": "K",
"acentric": 0.299,
"acentric_units": "-",
"alpha0": [
{
"a1": -1.570859897210351,
"a2": 0,
"type": "IdealGasHelmholtzLead"
},
{
"a": -1,
"type": "IdealGasHelmholtzLogTau"
},
{
"T0": 341.864512243,
"Tc": 507.82,
"c": [
4,
11.6977,
182.326,
26.8142,
859.207
],
"type": "IdealGasHelmholtzCP0AlyLee"
},
{
"T0": 341.864512243,
"Tc": 507.82,
"c": [
0,
38.6164,
1826.59,
0,
0
],
"type": "IdealGasHelmholtzCP0AlyLee"
},
{
"a1": 7.55444021933976,
"a2": 1.95248104655686,
"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": [
1.0553238,
-2.6120616,
0.76613883,
-0.29770321,
0.11879908,
0.00027922861,
0.4634759,
0.011433197,
-0.48256969,
-0.093750559,
-0.0067273247,
-0.0051141584
],
"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": 507.82,
"T_min": 507.56389285976036,
"_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": [
1.3977737160597438e-07,
-0.0011682233690808838,
3.251884108736999,
-2507.157926239475
],
"cV": [
5.874354703279542e-09,
-4.7886457822250056e-05,
0.130117701932496,
389.9695505583025
],
"rhomolar_max": 2833.509856115492,
"rhomolar_min": 2364.9453716716366
},
"gas_constant": 8.31451,
"gas_constant_units": "J/mol/K",
"molar_mass": 0.08617535999999999,
"molar_mass_units": "kg/mol",
"p_max": 92000000,
"p_max_units": "Pa",
"pseudo_pure": false
}
],
"INFO": {
"2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=7767",
"ALIASES": [
"nHexane",
"Hexane",
"HEXANE",
"N-HEXANE",
"NC6H14",
"n-C6H14"
],
"CAS": "110-54-3",
"CHEMSPIDER_ID": 7767,
"ENVIRONMENTAL": {
"ASHRAE34": "UNKNOWN",
"FH": 3,
"GWP100": 3.1,
"GWP20": -1.0,
"GWP500": -1.0,
"HH": 2,
"Name": "n-Hexane",
"ODP": -1.0,
"PH": 0
},
"FORMULA": "C_{6}H_{14}",
"INCHI_KEY": "VLKZOEOYAKHREP-UHFFFAOYSA-N",
"INCHI_STRING": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3",
"NAME": "n-Hexane",
"REFPROP_NAME": "HEXANE",
"SMILES": "CCCCCC"
},
"STATES": {
"critical": {
"T": 507.82,
"T_units": "K",
"hmolar": 47136.8324687349,
"hmolar_units": "J/mol",
"p": 3044115.328359688,
"p_units": "Pa",
"rhomolar": 2706,
"rhomolar_units": "mol/m^3",
"smolar": 108.16200205359627,
"smolar_units": "J/mol/K"
},
"triple_liquid": {
"T": 177.83,
"T_units": "K",
"hmolar": -30535.13547951443,
"hmolar_units": "J/mol",
"p": 1.1889790696279698,
"p_units": "Pa",
"rhomolar": 8801.554295434455,
"rhomolar_units": "mol/m^3",
"smolar": -120.09120604410411,
"smolar_units": "J/mol/K"
},
"triple_vapor": {
"T": 177.83,
"T_units": "K",
"hmolar": 8039.074385755907,
"hmolar_units": "J/mol",
"p": 1.1889790696279698,
"p_units": "Pa",
"rhomolar": 0.0008041501643579273,
"rhomolar_units": "mol/m^3",
"smolar": 96.82500531095654,
"smolar_units": "J/mol/K"
}
},
"TRANSPORT": {
"conductivity": {
"BibTeX": "Assael-JPCRD-2013-Hexane",
"critical": {
"GAMMA": 0.05803,
"R0": 1.02,
"gamma": 1.239,
"qD": 1350000000.0,
"type": "simplified_Olchowy_Sengers",
"zeta0": 2.364e-10
},
"dilute": {
"A": [
0.0066742,
-0.0237619,
0.0720155,
-0.0183714
],
"B": [
1
],
"T_reducing": 507.82,
"T_reducing_units": "K",
"m": [
0
],
"n": [
0,
1,
2,
3
],
"type": "ratio_of_polynomials"
},
"residual": {
"B": [
-0.0301408,
0.0218208,
0.167975,
-0.100833,
-0.129739,
0.077418,
0.0382833,
-0.0215945,
-0.00370294,
0.00212487
],
"T_reducing": 507.82,
"T_reducing_units": "K",
"d": [
1,
1,
2,
2,
3,
3,
4,
4,
5,
5
],
"rhomass_reducing": 233.1819066,
"rhomass_reducing_units": "kg/m^3",
"t": [
0,
-1,
0,
-1,
0,
-1,
0,
-1,
0,
-1
],
"type": "polynomial"
}
},
"viscosity": {
"BibTeX": "Michailidou-JPCRD-2013-Hexane",
"dilute": {
"C": 2.1357e-08,
"a": [
0.1876,
-0.4843,
0.04477
],
"molar_mass": 0.08617536,
"molar_mass_units": "kg/mol",
"t": [
0,
1,
2
],
"type": "collision_integral"
},
"epsilon_over_k": 378.4,
"epsilon_over_k_units": "K",
"higher_order": {
"hardcoded": "n-Hexane"
},
"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,
-0.75,
-1.0,
-1.25,
-1.5,
-2.5,
-5.5
],
"type": "Rainwater-Friend"
},
"sigma_eta": 6.334e-10,
"sigma_eta_units": "m"
}
}
}