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CoolProp/dev/fluids/HeavyWater.json
Ian Bell 9bd37e7d64 Add InChI keys and string, SMILES, etc; closes #1069 
See also #115
2016-07-27 19:42:31 -06:00

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{
"ANCILLARIES": {
"pS": {
"T_r": 643.847,
"Tmax": 643.847,
"Tmin": 276.97,
"description": "p'' = pc*exp(Tc/T*sum(n_i*theta^t_i))",
"max_abserror_percentage": 1,
"n": [
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99.569,
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],
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"t": [
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1.5,
2.75,
3.0,
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],
"type": "pV",
"using_tau_r": true
},
"rhoL": {
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"description": "rho' = rhoc*(1+sum(n_i*theta^t_i))",
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8.7202,
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],
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],
"type": "rhoLnoexp",
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},
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"description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))",
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],
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0.5,
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],
"type": "rhoV",
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},
"surface_tension": {
"BibTeX": "IAPWS-SurfaceTension-1994",
"Tc": 643.847,
"a": [
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],
"description": "sigma = sum(a_i*(1-T/Tc)^n_i)",
"n": [
1.25,
2.25
]
}
},
"EOS": [
{
"BibTeX_CP0": "",
"BibTeX_EOS": "Herrig-2015",
"STATES": {
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"hmolar": 37589.98326050484,
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},
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}
},
"T_max": 825,
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"Ttriple": 276.969,
"Ttriple_units": "K",
"acentric": 0.3643005688094967,
"acentric_units": "-",
"alpha0": [
{
"a1": -8.6739710041,
"a2": 6.9611755531,
"type": "IdealGasHelmholtzLead"
},
{
"a": 3.0,
"type": "IdealGasHelmholtzLogTau"
},
{
"n": [
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2.0646,
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"type": "IdealGasHelmholtzPlanckEinstein"
},
{
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"reference": "IIR",
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}
],
"alphar": [
{
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3.0,
1.0,
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2.0,
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],
"l": [
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],
"type": "ResidualHelmholtzPower"
},
{
"beta": [
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2.61,
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0.735,
0.24,
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3.0,
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"epsilon": [
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],
"eta": [
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"type": "ResidualHelmholtzGaussian"
}
],
"gas_constant": 8.3144621,
"gas_constant_units": "J/mol/K",
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"molar_mass_units": "kg/mol",
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"p_max_units": "Pa",
"pseudo_pure": false
}
],
"INFO": {
"2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=23004",
"ALIASES": [
"D2O",
"HEAVYWATER"
],
"CAS": "7789-20-0",
"CHEMSPIDER_ID": 23004,
"ENVIRONMENTAL": {
"ASHRAE34": "UNKNOWN",
"FH": 0,
"GWP100": -1.0,
"GWP20": -1.0,
"GWP500": -1.0,
"HH": 0,
"Name": "Water",
"ODP": -1.0,
"PH": 0
},
"FORMULA": "D_{2}O_{1}",
"INCHI_KEY": "XLYOFNOQVPJJNP-ZSJDYOACEI",
"INCHI_STRING": "InChI=1/H2O/h1H2/i/hD2",
"NAME": "HeavyWater",
"REFPROP_NAME": "D2O",
"SMILES": "[2H]O[2H]"
},
"STATES": {
"critical": {
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"hmolar": 31137.687499914453,
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},
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},
"triple_vapor": {
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}
},
"TRANSPORT": {
"conductivity": {
"BibTeX": "IAPWS-D2O-2007-Transport",
"hardcoded": "HeavyWater"
},
"viscosity": {
"BibTeX": "IAPWS-D2O-2007-Transport",
"hardcoded": "HeavyWater"
}
}
}
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