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* Add fluid files with superancillary data * Delete the large generated z-compressed header
4455 lines
134 KiB
JSON
4455 lines
134 KiB
JSON
{
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"ANCILLARIES": {
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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",
|
|
"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"
|
|
}
|
|
}
|
|
} |