{ "ANCILLARIES": { "hL": { "A": [ 140.7137211913371, -387.7732300836713, 50.87560689977791, -3.27582734523999, 0.12494753662861673, -0.0028428967378456987, 3.57000682883749e-05, -1.913334622597457e-07 ], "B": [ 1, -0.025721258449774485 ], "Tmax": 38.24, "Tmin": 18.724, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 2.3864807675861357, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ -2545.880942692072, 1004.2426378106315, -119.9099318663701, 7.682781336786054, -0.29429325348407764, 0.006717496539587202, -8.455092974364939e-05, 4.538617033792785e-07 ], "B": [ 1, -0.025693689235904354 ], "Tmax": 38.24, "Tmin": 18.724, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 5.161339191960337, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "pS": { "T_r": 38.34, "Tmax": 38.33999999999991, "Tmin": 18.72400000000001, "description": "p' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.005537849329229072, "n": [ 4.632619255906051, -8.969455942164178, 0.5664073789158284, -0.09981074464874193, -0.3596187124547404, -0.23569604663548424 ], "reducing_value": 1679600.0, "t": [ 0.765, 0.849, 2.072, 0.484, 6.894, 14.564 ], "type": "pL", "using_tau_r": true }, "rhoL": { "T_r": 38.34, "Tmax": 38.33999999999991, "Tmin": 18.72400000000001, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 0.17429991279744872, "n": [ -3.7327374059367657, 5.717877520193506, -7.7160148356330875, 8.271326329456837, -3.540310397292104, 6126.25395082707 ], "reducing_value": 17230.0, "t": [ 0.281, 0.319, 1.913, 1.992, 6.17, 19.493 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 38.34, "Tmax": 38.33999999999991, "Tmin": 18.72400000000001, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.0174186911302332, "n": [ -0.10109803867705139, -4.563691481638655, 3.3301365272696226, -4.503537024711251, 3.823445254078357, -2.0240887330256525 ], "reducing_value": 17230.0, "t": [ 0.266, 0.576, 1.105, 1.725, 2.526, 3.959 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -31.902662468213094, -4.965869351767818, 0.9564849269212934, -0.06786352174384427, 0.0027001162141152488, -6.29674996419941e-05, 8.04090159013165e-07, -4.359863229456086e-09 ], "B": [ 1, -0.02572820190813501 ], "Tmax": 38.24, "Tmin": 18.724, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 0.06072241697857894, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "sLV": { "A": [ 254.5866772335981, -24.169255069486226, 0.7551777640746234, 0.0163798726197736, -0.0021262976931953072, 7.15408915422784e-05, -1.1082500253504164e-06, 6.788300596309288e-09 ], "B": [ 1, -0.025696732049199703 ], "Tmax": 38.24, "Tmin": 18.724, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 0.1336724465372372, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "surface_tension": { "BibTeX": "Mulero-JPCRD-2012", "Tc": 38.34, "a": [ 0.009376 ], "description": "sigma = sum(a_i*(1-T/Tc)^n_i)", "n": [ 1.258 ] } }, "EOS": [ { "BibTeX_CP0": "", "BibTeX_EOS": "Richardson-JPCRD-2013", "STATES": { "hs_anchor": { "T": 42.17400000000001, "T_units": "K", "hmolar": 1012.7149455649967, "hmolar_units": "J/mol", "p": 2471528.998925426, "p_units": "Pa", "rhomolar": 15507.0, "rhomolar_units": "mol/m^3", "smolar": 26.987283392692056, "smolar_units": "J/mol/K" }, "reducing": { "T": 38.34, "T_units": "K", "hmolar": 839.8736419970362, "hmolar_units": "J/mol", "p": 1679600, "p_units": "Pa", "rhomolar": 17230, "rhomolar_units": "mol/m^3", "smolar": 23.891912096046795, "smolar_units": "J/mol/K" }, "sat_min_liquid": { "T": 18.724, "T_units": "K", "hmolar": -122.65703568377039, "hmolar_units": "J/mol", "p": 17189.101973451077, "p_units": "Pa", "rhomolar": 43350.92089035647, "rhomolar_units": "mol/m^3", "smolar": -5.700748152169429, "smolar_units": "J/mol/K" }, "sat_min_vapor": { "T": 18.724, "T_units": "K", "hmolar": 1152.7121593388533, "hmolar_units": "J/mol", "p": 17189.102173299063, "p_units": "Pa", "rhomolar": 112.95640476733868, "rhomolar_units": "mol/m^3", "smolar": 62.41339376470909, "smolar_units": "J/mol/K" } }, "T_max": 600, "T_max_units": "K", "Ttriple": 18.724, "Ttriple_units": "K", "acentric": -0.136290274128, "acentric_units": "-", "alpha0": [ { "a1": -2.0677351753, "a2": 2.4237151502, "type": "IdealGasHelmholtzLead" }, { "a": 1.5, "type": "IdealGasHelmholtzLogTau" }, { "n": [ -3.54145, 3.0326, -3.52422, -1.73421, -3.57135, 2.14858, 6.23107, -3.30425, 6.23098, -3.57137, 3.32901, 0.97782 ], "t": [ 187.1178925404277, 225.2217005738132, 23.54460093896714, 4.723526343244653, 11.43714136671883, 131.3041210224309, 7.039645279081897, 5.996348461137194, 17.38132498695879, 11.81011997913406, 5.007824726134585, 30.97548252477829 ], "type": "IdealGasHelmholtzPlanckEinstein" } ], "alphar": [ { "d": [ 4, 1, 1, 2, 3, 1, 3, 2, 2, 2, 1, 1, 3, 2 ], "l": [ 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 2, 2, 2, 2 ], "n": [ 0.006267958, 10.53609, -10.14149, 0.356061, 0.1824472, -1.129638, -0.0549812, -0.6791329, 1.347918, -0.8657582, 1.719146, -1.917977, 0.1233365, -0.07936891 ], "t": [ 1, 0.462, 0.5584, 0.627, 1.201, 0.309, 1.314, 1.1166, 1.25, 1.25, 1.395, 1.627, 1, 2.5 ], "type": "ResidualHelmholtzPower" }, { "beta": [ 0.613, 0.584, 0.57, 1.056, 1.01, 1.025, 1.029 ], "d": [ 1, 1, 2, 3, 3, 1, 3 ], "epsilon": [ 1.46, 1.7864, 1.647, 0.541, 0.969, 1.892, 1.076 ], "eta": [ 0.868, 0.636, 0.668, 0.65, 0.745, 0.782, 0.693 ], "gamma": [ 0.6306, 0.711, 0.6446, 0.8226, 0.992, 1.2184, 1.203 ], "n": [ 1.686617, -4.240326, 1.857114, -0.5903705, 1.520171, 2.361373, -2.297315 ], "t": [ 0.635, 0.664, 0.7082, 2.25, 1.524, 0.67, 0.709 ], "type": "ResidualHelmholtzGaussian" } ], "critical_region_splines": { "T_max": 38.34, "T_min": 38.3393455081093, "_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": [ 0.0, 0.0, -3.0138638445784953e-06, 38.391928874042094 ], "cV": [ 0.0, 0.0, 3.024694971483841e-06, 38.28788450564134 ], "rhomolar_max": 17447.160404205744, "rhomolar_min": 17013.617225249614 }, "gas_constant": 8.3144621, "gas_constant_units": "J/mol/K", "molar_mass": 0.0040282, "molar_mass_units": "kg/mol", "p_max": 2000000000, "p_max_units": "Pa", "pseudo_pure": false } ], "INFO": { "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=22931", "ALIASES": [ "deuterium", "DEUTERIUM", "D2" ], "CAS": "7782-39-0", "CHEMSPIDER_ID": 22931, "ENVIRONMENTAL": { "ASHRAE34": "UNKNOWN", "FH": -1, "GWP100": 0.0, "GWP20": 0.0, "GWP500": 0.0, "HH": -1, "Name": "Deuterium", "ODP": -1.0, "PH": -1 }, "FORMULA": "D_{2}", "INCHI_KEY": "UFHFLCQGNIYNRP-VVKOMZTBSA-N", "INCHI_STRING": "InChI=1S/H2/h1H/i1+1D", "NAME": "Deuterium", "REFPROP_NAME": "D2", "SMILES": "[2H][2H]" }, "STATES": { "critical": { "T": 38.34, "T_units": "K", "hmolar": 839.8071401542587, "hmolar_units": "J/mol", "p": 1679600.0, "p_units": "Pa", "rhomolar": 17230.0, "rhomolar_units": "mol/m^3", "smolar": 23.891562920137964, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 18.724, "T_units": "K", "hmolar": -122.65703568377039, "hmolar_units": "J/mol", "p": 17189.101973451077, "p_units": "Pa", "rhomolar": 43350.92089035647, "rhomolar_units": "mol/m^3", "smolar": -5.700748152169429, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 18.724, "T_units": "K", "hmolar": 1152.7121593388533, "hmolar_units": "J/mol", "p": 17189.102173299063, "p_units": "Pa", "rhomolar": 112.95640476733868, "rhomolar_units": "mol/m^3", "smolar": 62.41339376470909, "smolar_units": "J/mol/K" } } }