RECENT PUBLICATIONS
2007
1. Kiselev, S. B. and J.F. Ely, Generalized crossover description of the thermodynamic and transport properties in pure fluids. II. Revision and Modification. Fluid Phase Equilib. 2007, 252(1): 57-65. (view as PDF)
2. Galamba, N., C.A.N. de Castro, and J.F. Ely, Equilibrium and nonequilibrium molecular dynamics simulations of the thermal conductivity of molten alkali halides. J. Chem. Phys., 2007. 126(20): 204511. (view as PDF)
3. Kiselev, S. B. and J.F. Ely, HRX-SAFT Equation of State for Fluid Mixtures: New Analytical Formulation. J. Phys. Chem. C, 2007, 111(43): 15969-15975. (view as PDF)
4. Culley, D., M.L. Huber, and J.F. Ely, Indirect Computer Simulation of the Excess Chemical Potential and Partial Molar Volumes in Lennard-Jones Mixtures with Large Size Ratios. Mol. Sim., 2006. In preparation.
2006
1. Kiselev, S.B., J.F. Ely, and J.R. Elliott Jr., Molecular Dynamic Simulations and Global Equation of State of Square-Well Fluids with the Well-Widths from l=1.1 to 2.1. Mol. Phys., 2006. (view as pdf).
2.. Kiselev, S.B. and J.F. Ely, A new analytical formulation for the generalized corresponding states model for thermodynamic and surface properties in pure fluids. Chem. Eng. Sci., 2006. (view as pdf).
3. Kiselev, S.B., et al., HRX-SAFT Equation of State for Fluid Mixtures: Application to Binary Mixtures of Carbon Dioxide, Water, and Methanol. Ind. Eng. Chem. Res., 2006. 45(11): 3981-3990. (view as pdf)
2005
1. Abdulagatov, I.M., A.R. Bazaev, J.W. Magee, S.B. Kiselev, and J.F. Ely, PVTx Measurements and Crossover Equation of State of Pure n-Hexane and Dilute Aqueous n-Hexane Solutions in the Critical and Supercritical Regions. Ind. Eng. Chem. Res., 2005, 44(6):1967-1984. (view as pdf)
2. Pan, G., J. F. Ely, C. McCabe and D. J. Isbister, Operator splitting algorithm for iso-kinetic SLLOD molecular dynamics J. Chem. Phys., 2005, 122(9):4114-4123. (view as pdf)
3. Sun, L., S. B. Kiselev and J. F. Ely, Multiparameter Crossover Equation of State: Generalized Algorithm and Application to Carbon Dioxide, Fluid Phase Equilib. 2005, 233(2):204-219. (view as pdf).
4. Sun, L. and J. F. Ely, A Corresponding States Model for Generalized Engineering Equations of State. Int. J, Thermophys., 2005. 26(3):705-728. (view as pdf)
5. Galamba, N., C.A.N. de Castro and J. F. Ely, Shear viscosity of molten alkali halides from equilibrium and nonequilibrium molecular dynamics simulations. J. Chem. Phys., 2005, 122(22):4501-9. (view as pdf)
6. Kiselev, S.B., J.F. Ely, I.M. Abdulagatov, and M.L. Huber, Generalized SAFT-DFT/DMT model for the thermodynamic, interfacial, and transport properties of associating fluids: Application for n-alkanols. Ind. Eng. Chem. Res., 2005, 44(17):6916-6027. (view as pdf)
7. Abdulagatov, I.M., N.G. Polikhronidi, A. Abdurashidova, S.B. Kiselev, and J.F. Ely, Thermodynamic Properties of Methanol in the Critical and Supercritical Regions. Int. J. Thermophys., 2005, 26(5):1327-1368. (view as pdf)
2004
1. Galamba, N., C.A.N. de Castro and J.F. Ely, Thermal conductivity of molten alkali halides from equilibrium molecular dynamics simulations. J. Chem. Phys., 2004. 120(18):8676-8683.(view as pdf)
2. Galamba, N., C.A.N. de Castro and J.F. Ely, Molecular dynamics simulation of the shear viscosity of molten alkali halides. J. Phys. Chem. B, 2004. 108:3658-3662. (view as pdf)
3. Zhang, H. and J.F. Ely, AUA model NEMD and EMD simulations of the shear viscosity of alkane and alcohol systems. Fluid Phase Equilib., 2004. 217(1): 111-118. (view as pdf)
4. Kiselev, S.B. and J.F. Ely, A Geeneralized Crossover Model for Adsorption of Pure Fluids at a Planar Surface in the Volume and in a Slit Pore. J. Chem. Phys., 2004. 120(17): 8241-8257. (view as pdf)
5. Sun, L. and J. F. Ely, Generalized Equation of State for Engineering Application: Algorithm and Application to Non-Polar and Polar Fluids., Fluid Phase Equilib., 2004, 222-223(1):107-118 (view as pdf)
6. Kiselev, S. B. and J. F. Ely, Generalized crossover description of the thermodynamic and transport properties in pure fluids., Fluid Phase Equilib. 2004. 222-223(1):149-159. (view as pdf)
.Top
2003
1. Kiselev, S.B. and J.F. Ely, Physical Limit of Stability in Supercooled D2O and D2O + H2O mixtures. J. Chem. Phys., 2003. 118(2):680-689 (view as pdf).
2. Kiselev, S.B. and J.F. Ely, Generalized Corresponding States Model for Bulk and Interfacial Properties in Pure Fluids and Fluid Mixtures. J. Chem. Phys., 2003. 119(16):8645-8662 (view as pdf).