{ "ANCILLARIES": { "hL": { "A": [ -53247.44308046212, -30.22449750665165, 1.4532157100232044, -0.006547990434178497, 1.606798855008239e-05, -2.3270750838086155e-08, 1.852958539648762e-11, -6.293141593578115e-15 ], "B": [ 1, -0.001530179787464755 ], "Tmax": 646.996, "Tmin": 273.16, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 474.4787610946123, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "hLV": { "A": [ -2057.1899047043175, 902.4205693508127, -7.581667042020029, 0.03095158433051191, -7.383031072385865e-05, 1.039036175766884e-07, -8.022530152723072e-11, 2.6364838926800874e-14 ], "B": [ 1, -0.0015301193752061207 ], "Tmax": 646.996, "Tmin": 273.16, "_note": "coefficients are in increasing order; input in K, output in J/mol; value is enthalpy minus hs_anchor enthalpy", "max_abs_error": 1089.2491726064823, "max_abs_error_units": "J/mol", "type": "rational_polynomial" }, "melting_line": { "BibTeX": "IAPWS-Melting-2011", "T_m": -1, "parts": [ { "T_0": 273.16, "T_max": 251.165, "T_min": 273.16, "a": [ -1195393.37, -80818.3159, -3338.2686 ], "p_0": 611.657, "t": [ 3.0, 25.75, 103.75 ] }, { "T_0": 251.165, "T_max": 256.164, "T_min": 251.165, "a": [ 0.299948 ], "p_0": 208566000.0, "t": [ 60 ] }, { "T_0": 256.164, "T_max": 273.31, "T_min": 256.164, "a": [ 1.18721 ], "p_0": 350100000.0, "t": [ 8 ] }, { "T_0": 273.31, "T_max": 355, "T_min": 273.31, "a": [ 1.07476 ], "p_0": 623400000.0, "t": [ 4.6 ] } ], "type": "polynomial_in_Tr" }, "pS": { "T_r": 647.096, "Tmax": 647.0959999999985, "Tmin": 273.16, "description": "p'' = pc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.01384518934277601, "n": [ -9.75639641045262, 3.3357600887120102, -1.10029278432831, 0.02037617155190105, -2.6668589845604367, 6.676721087238668 ], "reducing_value": 22064000.0, "t": [ 1.018, 1.206, 2.327, 5.753, 4.215, 14.951 ], "type": "pV", "using_tau_r": true }, "rhoL": { "T_r": 647.096, "Tmax": 647.0959999999985, "Tmin": 273.16, "description": "rho' = rhoc*(1+sum(n_i*theta^t_i))", "max_abserror_percentage": 0.14434134863475778, "n": [ 0.8157021355019343, 2.0434712177006693, -78.58278372496308, 1026.4273940070307, -2290.5642779377695, 8420.141408210317 ], "reducing_value": 17873.72799560906, "t": [ 0.276, 0.455, 7.127, 9.846, 11.707, 17.805 ], "type": "rhoLnoexp", "using_tau_r": false }, "rhoV": { "T_r": 647.096, "Tmax": 647.0959999999985, "Tmin": 273.16, "description": "rho'' = rhoc*exp(Tc/T*sum(n_i*theta^t_i))", "max_abserror_percentage": 0.2457203054771817, "n": [ 0.9791749335365787, -2.6190679042770215, -3.9166443712365235, -20.313306821636637, 16.497589490043744, -125.36580458432083 ], "reducing_value": 17873.72799560906, "t": [ 0.21, 0.262, 0.701, 3.909, 4.076, 17.459 ], "type": "rhoV", "using_tau_r": true }, "sL": { "A": [ -242.4197506748103, 1.4366057889555626, -0.004420946012064527, 8.615475040457115e-06, -9.468502359436112e-09, 3.5511711131309356e-12, 2.6479381633940517e-15, -2.266976871252789e-18 ], "B": [ 1, -0.0015298379877608935 ], "Tmax": 646.996, "Tmin": 273.16, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 0.7438739447558973, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "sLV": { "A": [ 883.5934780093995, -7.59484746628131, 0.031796317105236845, -7.849375186152849e-05, 1.1639629069683619e-07, -9.86932921168071e-11, 4.08462307096586e-14, -4.719057002291732e-18 ], "B": [ 1, -0.001529475906688713 ], "Tmax": 646.996, "Tmin": 273.16, "_note": "coefficients are in increasing order; input in K, output in J/mol/K; value is entropy minus hs_anchor entropy", "max_abs_error": 1.7288475128153316, "max_abs_error_units": "J/mol/K", "type": "rational_polynomial" }, "surface_tension": { "BibTeX": "Mulero-JPCRD-2012", "Tc": 647.096, "a": [ -0.1306, 0.2151 ], "description": "sigma = sum(a_i*(1-T/Tc)^n_i)", "n": [ 2.471, 1.233 ] } }, "EOS": [ { "BibTeX_CP0": "", "BibTeX_EOS": "Wagner-JPCRD-2002", "STATES": { "hs_anchor": { "T": 711.8056, "T_units": "K", "hmolar": 43781.065905123054, "hmolar_units": "J/mol", "p": 38398578.56983617, "p_units": "Pa", "rhomolar": 16086.355196048155, "rhomolar_units": "mol/m^3", "smolar": 87.17706239787964, "smolar_units": "J/mol/K" }, "reducing": { "T": 647.096, "T_units": "K", "hmolar": 37556.74658424395, "hmolar_units": "J/mol", "p": 22064000, "p_units": "Pa", "rhomolar": 17873.72799560906, "rhomolar_units": "mol/m^3", "smolar": 79.4039479748897, "smolar_units": "J/mol/K" }, "sat_min_liquid": { "T": 273.16, "T_units": "K", "hmolar": 0.011021389918129065, "hmolar_units": "J/mol", "p": 611.6548008968684, "p_units": "Pa", "rhomolar": 55496.95513999978, "rhomolar_units": "mol/m^3", "smolar": -6.248886779394275e-11, "smolar_units": "J/mol/K" }, "sat_min_vapor": { "T": 273.16, "T_units": "K", "hmolar": 45054.657349954025, "hmolar_units": "J/mol", "p": 611.6548008968684, "p_units": "Pa", "rhomolar": 0.2694716052752858, "rhomolar_units": "mol/m^3", "smolar": 164.93862020846, "smolar_units": "J/mol/K" } }, "T_max": 2000, "T_max_units": "K", "Ttriple": 273.16, "Ttriple_units": "K", "acentric": 0.3442920843, "acentric_units": "-", "alpha0": [ { "a1": -8.3204464837497, "a2": 6.6832105275932, "type": "IdealGasHelmholtzLead" }, { "a": 3.00632, "type": "IdealGasHelmholtzLogTau" }, { "n": [ 0.012436, 0.97315, 1.2795, 0.96956, 0.24873 ], "t": [ 1.28728967, 3.53734222, 7.74073708, 9.24437796, 27.5075105 ], "type": "IdealGasHelmholtzPlanckEinstein" } ], "alphar": [ { "d": [ 1, 1, 1, 2, 2, 3, 4, 1, 1, 1, 2, 2, 3, 4, 4, 5, 7, 9, 10, 11, 13, 15, 1, 2, 2, 2, 3, 4, 4, 4, 5, 6, 6, 7, 9, 9, 9, 9, 9, 10, 10, 12, 3, 4, 4, 5, 14, 3, 6, 6, 6 ], "l": [ 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 4, 6, 6, 6, 6 ], "n": [ 0.012533547935523, 7.8957634722828, -8.7803203303561, 0.31802509345418, -0.26145533859358, -0.0078199751687981, 0.0088089493102134, -0.66856572307965, 0.20433810950965, -6.6212605039687e-05, -0.19232721156002, -0.25709043003438, 0.16074868486251, -0.040092828925807, 3.9343422603254e-07, -7.5941377088144e-06, 0.00056250979351888, -1.5608652257135e-05, 1.1537996422951e-09, 3.6582165144204e-07, -1.3251180074668e-12, -6.2639586912454e-10, -0.10793600908932, 0.017611491008752, 0.22132295167546, -0.40247669763528, 0.58083399985759, 0.0049969146990806, -0.031358700712549, -0.74315929710341, 0.4780732991548, 0.020527940895948, -0.13636435110343, 0.014180634400617, 0.0083326504880713, -0.029052336009585, 0.038615085574206, -0.020393486513704, -0.0016554050063734, 0.0019955571979541, 0.00015870308324157, -1.638856834253e-05, 0.043613615723811, 0.034994005463765, -0.076788197844621, 0.022446277332006, -6.2689710414685e-05, -5.5711118565645e-10, -0.19905718354408, 0.31777497330738, -0.11841182425981 ], "t": [ -0.5, 0.875, 1, 0.5, 0.75, 0.375, 1, 4, 6, 12, 1, 5, 4, 2, 13, 9, 3, 4, 11, 4, 13, 1, 7, 1, 9, 10, 10, 3, 7, 10, 10, 6, 10, 10, 1, 2, 3, 4, 8, 6, 9, 8, 16, 22, 23, 23, 10, 50, 44, 46, 50 ], "type": "ResidualHelmholtzPower" }, { "beta": [ 150, 150, 250 ], "d": [ 3, 3, 3 ], "epsilon": [ 1, 1, 1 ], "eta": [ 20, 20, 20 ], "gamma": [ 1.21, 1.21, 1.25 ], "n": [ -31.306260323435, 31.546140237781, -2521.3154341695 ], "t": [ 0, 1, 4 ], "type": "ResidualHelmholtzGaussian" }, { "A": [ 0.32, 0.32 ], "B": [ 0.2, 0.2 ], "C": [ 28, 32 ], "D": [ 700, 800 ], "a": [ 3.5, 3.5 ], "b": [ 0.85, 0.95 ], "beta": [ 0.3, 0.3 ], "n": [ -0.14874640856724, 0.31806110878444 ], "type": "ResidualHelmholtzNonAnalytic" } ], "critical_region_splines": { "T_max": 647.096, "T_min": 647.0954167354802, "_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, -2.6319631259532804e-06, 647.1430429930077 ], "cV": [ 0.0, 0.0, 2.6053577217441603e-06, 647.0494325447503 ], "rhomolar_max": 18095.336161027783, "rhomolar_min": 17649.856810851063 }, "gas_constant": 8.314371357587, "gas_constant_units": "J/mol/K", "molar_mass": 0.018015268, "molar_mass_units": "kg/mol", "p_max": 1000000000, "p_max_units": "Pa", "pseudo_pure": false } ], "INFO": { "2DPNG_URL": "http://www.chemspider.com/ImagesHandler.ashx?id=937", "ALIASES": [ "water", "WATER", "H2O", "h2o", "R718" ], "CAS": "7732-18-5", "CHEMSPIDER_ID": 937, "ENVIRONMENTAL": { "ASHRAE34": "A1", "FH": 0, "GWP100": -1.0, "GWP20": -1.0, "GWP500": -1.0, "HH": 0, "Name": "Water", "ODP": -1.0, "PH": 0 }, "FORMULA": "H_{2}O_{1}", "INCHI_KEY": "XLYOFNOQVPJJNP-UHFFFAOYSA-N", "INCHI_STRING": "InChI=1S/H2O/h1H2", "NAME": "Water", "REFPROP_NAME": "WATER", "SMILES": "O" }, "STATES": { "critical": { "T": 647.096, "T_units": "K", "hmolar": 37549.461223920865, "hmolar_units": "J/mol", "p": 22064000.0, "p_units": "Pa", "rhomolar": 17873.72799560906, "rhomolar_units": "mol/m^3", "smolar": 79.3940358438747, "smolar_units": "J/mol/K" }, "triple_liquid": { "T": 273.16, "T_units": "K", "hmolar": 0.011021389918129065, "hmolar_units": "J/mol", "p": 611.6548008968684, "p_units": "Pa", "rhomolar": 55496.95513999978, "rhomolar_units": "mol/m^3", "smolar": -6.248886779394275e-11, "smolar_units": "J/mol/K" }, "triple_vapor": { "T": 273.16, "T_units": "K", "hmolar": 45054.657349954025, "hmolar_units": "J/mol", "p": 611.6548008968684, "p_units": "Pa", "rhomolar": 0.2694716052752858, "rhomolar_units": "mol/m^3", "smolar": 164.93862020846, "smolar_units": "J/mol/K" } }, "TRANSPORT": { "conductivity": { "BibTeX": "Huber-JPCRD-2012", "hardcoded": "Water" }, "viscosity": { "BibTeX": "Huber-JPCRD-2009", "hardcoded": "Water" } } }