Determination of Transport Properties of Dilute Binary Mixtures Containing Carbon Dioxide through Isotropic Pair Potential Energies

Welker, 1996, “Ab initio calculation of the intermolecular potential energy surface of (CO2)2 and first applications in simulations of fluid CO2”, Chem. Phys., 213, 253, 10.1016/S0301-0104(96)00282-0 Zéberg-Mikkelsen, 2002, “Viscosity prediction of carbon dioxide-hydrocarbon mixtures using the friction theory”, Pet. Sci. Technol., 20, 27, 10.1081/LFT-120002084 Bastien, 2010, “Intermolecular potential parameters and combining rules determined from viscosity data”, Int. J. Chem. Kinet., 42, 713, 10.1002/kin.20521 Maitland, 1987 Clancy, 1975, “Simplified methods for inversion of thermophysical data”, Mol. Phys., 30, 1397, 10.1080/00268977500102921 Papari, 1998, “Semi-empirical calculation of the transport properties of eight binary gas mixtures at low density by the inversion method”, B. Chem. Soc. Jpn., 71, 2757, 10.1246/bcsj.71.2757 Papari, 2005, “Transport properties of argon-hydrogen gaseous mixture from an effective unlike interaction”, Fluid Phase Equilibr., 232, 122, 10.1016/j.fluid.2005.03.022 Papari, 2006, “Semi-empirically based assessment for predicting dilute gas transport properties of F2 and Ar-F2 fluids”, B. Chem. Soc. Jpn., 79, 67, 10.1246/bcsj.79.67 Moghadasi, 2006, “Predicting gas transport coefficients of alternative refrigerant mixtures”, Ind. Eng. Chem. Res., 45, 9211, 10.1021/ie060630v Moghadasi, 2008, “Predicting gas transport properties of light hydrocarbon mixtures as candidates for new refrigerants”, High Temp. High Press., 37, 299 Moghadasi, 2008, “Gas transport coefficients of light hydrocarbons, halogenated methane and ethane as candidates for new refrigerants”, B. Chem. Soc. Jpn., 81, 220, 10.1246/bcsj.81.220 Nikmanesh, 2009, “Calculation of transport properties of CF4 + noble gas mixtures”, Chin. J. Chem. Eng., 17, 814, 10.1016/S1004-9541(08)60281-5 Hirschfelder, 1964 Chapman, 1916, “On the law of distribution of molecular velocities, and on the theory of viscosity and thermal conduction, in a non-uniform simple monatomic gas”, Philos. Trans. R. Soc. London Ser. A., 216, 279, 10.1098/rsta.1916.0006 Enskog, D., Kinetische Theorie der Vorgänge in Mässig Verdünnten gasen, Ph. D Thesis, Sweden (1917). Chapman, 1970 Karkheck, 1983, “Kinetic perturbation theory. Structure of collision integrals for the square-well gas”, J. Chem. Phys., 87, 2858, 10.1021/j100238a031 Tipton, 2009, “Chapman-Enskog solutions to arbitrary order in sonine polynomials II: Viscosity in a binary, rigid-sphere, gas mixture”, Eur. J. Mech. B-Fluid, 28, 335, 10.1016/j.euromechflu.2008.09.002 Burnett, 1935, “The distribution of velocities in a slightly non-uniform gas”, P. Lond. Math. Soc., 39, 385, 10.1112/plms/s2-39.1.385 Sone, 2004 Loyalka, 2007, “Chapman-Enskog solutions to arbitrary order in sonine polynomials I: Simple, rigid-sphere gas”, Physica A., 379, 417, 10.1016/j.physa.2006.12.001 Lin, 1969, “Transport collision integrals for gases using the Lennard-Jones (6, n) potentials”, J. Chem. Eng. Data, 14, 328, 10.1021/je60042a010 Monchick, 1961, “Transport properties of polar gases”, J. Chem. Phys., 35, 1676, 10.1063/1.1732130 Herskowitz, I., Kuleshov, G.G., “Thermophysical data inversion: The limits of uncertainty”, In: Fifteenth Symposium on Thermophysical Properties, Colorado, USA (2003). Maitland, 1971, “The intermolecular pair potential of argon”, Mol. Phys., 22, 861, 10.1080/00268977100103181 Gough, 1974, “The pair potential energy function for krypton”, Mol. Phys., 27, 867, 10.1080/00268977400100781 Papari, 2003, “Transport properties of carbon dioxide from an isotropic and effective pair potential energy”, Chem. Phys., 288, 249, 10.1016/S0301-0104(03)00030-2 Gough, 1972, “The direct determination of intermolecular potential energy functions from gas viscosity measurements”, Mol. Phys., 24, 151, 10.1080/00268977200101311 Viehland, 1975, “Tables of transport collision integrals for (n, 6, 4) ion-neutral potentials”, Atom Data Nucl. Data, 16, 495, 10.1016/0092-640X(75)90022-4 Faissat, 1994, “Fundamental statements about thermal diffusion for a multi-component mixture in a porous medium”, Fluid Phase Equilibr., 100, 209, 10.1016/0378-3812(94)80010-3 Schreiber, 1997, “Thermal conductivity of multicomponent poly-atomic dilute gas mixtures”, Int. J. Thermophys., 18, 925, 10.1007/BF02575238 Vesovic, 2000, “Thermal conductivity of polyatomic dilute gas mixtures”, High Temp. High Press., 32, 163, 10.1068/htwu408 Uribe, 1991, “Composition dependence of the thermal conductivity of low-density poly-atomic gas mixtures”, Int. J. Thermophys., 12, 43, 10.1007/BF00506121 Thijsse, 1979, “Some simplified expressions for the thermal conductivity in an external field”, Physica A., 98, 307, 10.1016/0378-4371(79)90181-X Ross, 1992, “Alternative expressions for the thermal conductivity of dilute gas mixtures”, Physica A., 183, 519, 10.1016/0378-4371(92)90298-5 Millat, 1988, “On the validity of the simplified expression for the thermal conductivity of Thijsse et al.”, Physica A., 148, 153, 10.1016/0378-4371(88)90139-2 Vesovic, 1993, “Practical, accurate expressions for the thermal conductivity of atom-diatom gas mixtures”, Physica A., 201, 501, 10.1016/0378-4371(93)90123-L Schreiber, 1997, “Thermal conductivity of atom-molecule dilute gas mixtures”, High Temp. High Press., 29, 653, 10.1068/htrt117 Najafi, 2000, “New correlation functions for viscosity calculation of gases over wide temperature and pressure ranges”, Int. J. Thermophys., 21, 1011, 10.1023/A:1026437702566 O'Hara, 1971, “Transport collision integrals for a dilute gas”, Comput. Phys. Commun., 2, 47, 10.1016/0010-4655(71)90014-2 Mohammad-Aghaie, 2008, “Assessment of the effect of mixing rules on transport properties of gas mixtures”, B. Chem. Soc. Jpn., 81, 1219, 10.1246/bcsj.81.1219 Al-Matar, 2004, “A generating equation for mixing rules and two new mixing rules for interatomic potential energy parameters”, J. Comput. Chem., 25, 660, 10.1002/jcc.10418 Halgren, 1992, “The representation of van der Waals (vdW) interactions in molecular mechanics force fields: Potential form, combination rules, and vdW parameters”, J. Am. Chem. Soc., 114, 7827, 10.1021/ja00046a032 Maitland, 1978, “Direct determination of intermolecular potentials from gaseous transport-coefficients alone. 1. Method”, Mol. Phys., 35, 1429, 10.1080/00268977800101071 Richenberg, 1977, “New simplified methods for the estimation of the viscosities of gas mixtures at moderate pressures”, Natl. Eng. Lab Rept. Chem., 53 Davidson, T.A., A Simple and Accurate Method for Calculating Viscosity of Gaseous Mixtures, U. S. Bureau of Mines, RI9456 (1993). Poling, 2001 Friend, 1992