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- D.P. Visco, Jr. and D.A. Kofke, "An improved thermodynamic equation of state for hydrogen fluoride", Ind. Eng. Chem. Res. 38(10), 4125-4129 (1999).
- D.P. Visco, Jr. and D.A. Kofke, "A comparison of molecular-based models to determine vapor-liquid phase coexistence in hydrogen fluoride", Fluid Phase Equil. 158-160, 37-47 (1999).
- N. Lu and D.A. Kofke, "Optimal intermediates in staged free-energy calculations", J. Chem. Phys. 111(10), 4414-4423 (1999).
- S.P. Pandit and D.A. Kofke, "Evaluation of a locus of azeotropes by molecular simulation", AIChE J. 45(10), 2237-2244 (1999).
- C.D. Barnes and D.A. Kofke, "Exact solution for the singlet density distributions and second-order correlations of normal-mode coordinates for hard rods in one dimension", J. Chem. Phys. 110(23), 11390-11398 (1999).
- D.P. Visco, Jr. and D.A. Kofke, "Modeling the Monte Carlo simulation of associating fluids", J. Chem. Phys., 110(12), 5493-5502 (1999).
- D.A. Kofke and P.G. Bolhuis, "Freezing of polydisperse hard spheres" Phys. Rev. E 59(1), 618-622 (1999).
- D.A. Kofke and P.T. Cummings, "Precision and accuracy of staged free-energy perturbation methods for computing the chemical potential by molecular simulation", Fluid Phase Equil. 150-151, 41-49 (1998).
- D.P. Visco and D.A. Kofke "Vapor-Liquid Equilibria and Heat Effects of Hydrogen Fluoride from Molecular Simulation", J. Chem. Phys. 109(10), 4015-4027 (1998).
- D.P. Visco, Jr., E. Juwono, and D.A. Kofke, "Heat Effects of Hydrogen Fluoride from Two Thermodynamic Models", Int. J. of Thermophys., 19, 1111 (1998).
- D.A. Kofke and P.T. Cummings, "Quantitative Comparison and Optimization of Methods for Evaluating the Chemical Potential by Molecular Simulation", Molec. Phys. 92(6), 973-996 (1997).
- A.A. Khare, D.A. Kofke and G.T. Evans, "Tracer Diffusion in Perfectly Aligned Liquid Crystalline Phases", Molec. Phys. 91(6), 993-1003 (1997).
- D.P. Visco, Jr., D.A. Kofke, and R.R. Singh, "Thermal properties of Hydrogen Fluoride from an EOS + Association Model", AIChE J. 43(9), 2381-2384 (1997).
- D.S. Vaidya, J.M. Nitsche, S.L. Diamond, and D.A. Kofke, "Potential for Use of Liquid Crystals as Dynamically Tunable Electrophoretic Media", AIChE J. 43, 1366 (1997).
- D.S. Vaidya, J.M. Nitsche, S.L. Diamond, and D.A. Kofke, "Perturbation Solution to the Convection-Diffusion Equation with Moving Fronts", AIChE J. 43(3), 631-644 (1997).
- G.T. Evans, D.S. Vaidya, and D.A. Kofke, "Evidence for Harmonic Behavior in Hard Particle Smectic A Phases", Molec. Phys. 90, 683 (1997).
- P.G. Bolhuis and D.A. Kofke, "Numerical Study of Freezing in Polydisperse Colloidal Suspensions", J. Phys.: Condens. Matter 8, 9627-9631 (1996).
- P.J. Camp, C.P. Mason, M.P. Allen, A.A. Khare, and D.A. Kofke, "The Isotropic-Nematic Phase Transition in Uniaxial Hard Ellipsoid Fluids: Coexistence Data and the Approach to the Onsager Limit", J. Chem. Phys. 105(7), 2837-2849 (1996).
- P.G. Bolhuis and D.A. Kofke, "A Monte Carlo Study of Freezing of Polydisperse Hard Spheres", Phys. Rev. E 54(1), 634-643 (1996).
- D.S. Vaidya, J.M. Nitsche, S.L. Diamond, and D.A. Kofke, "Convection-Diffusion of Solutes in Dynamic Media", Adsorption 3, 41-54 (1996).
- D.A. Kofke, M.R. Grosso, S. Gollapudi, and C.R.F. Lund, "CESL: The Chemical Engineering Simulation Laboratory", Chem. Eng. Educ. 30(2), 114-119 (Spring 1996).
- D.S. Vaidya, J.M. Nitsche, S.L. Diamond, and D.A. Kofke, "Convection-Diffusion of Solutes in Media with Piecewise Constant Transport Properties", Chem. Eng. Sci. 51(24) 5299-5312 (1996).
- J.A. Dunne, A.L. Myers, and D.A. Kofke, "Simulation of Adsorption of Liquid Mixtures of N2 and O2 in a Model Faujasite Cavity at 77.5 K", Adsorption 2, 41-50 (1996).
- M. Mehta and D.A. Kofke, "Molecular Simulation in a Pseudo Grand-Canonical Ensemble", Molec. Phys. 86(1), 139-147 (1995).
- H.-C. Chiu and D.A. Kofke, "A Theory for the 1-1/2 Fluid", J. Chem. Phys. 103(4), 1599-1606 (1995).
- R. Agrawal and D.A. Kofke, "Thermodynamic and Structural Properties of Model Systems at Solid-Fluid Coexistence. II. Melting and Sublimation of Lennard-Jonesium", Molec. Phys. 85(1), 43-59 (1995).
- R. Agrawal and D.A. Kofke, "Thermodynamic and Structural Properties of Model Systems at Solid-Fluid Coexistence. I. fcc and bcc Soft Spheres", Molec. Phys. 85(1), 23-42 (1995).
- R. Agrawal and D.A. Kofke, "Solid-Fluid Coexistence for Inverse-Power Potentials", Phys. Rev. Lett. 74(1), 122-125 (1995).
- H.-C. Chiu and D.A. Kofke, "Transformation and Topological Reduction of Cluster Expansions using m-bonds", J. Stat. Phys. 78, 877-892 (1995).
- R. Agrawal, M. Mehta, and D.A. Kofke, "Efficient Evaluation of Three-Phase Coexistence Lines", Int. J. Thermophys. 15(6), 1073-1083 (1994).
- D. Vaidya, D.A. Kofke, S. Tang, and G. Evans, "Self Diffusion in the Nematic and Smectic A Phases of an Aligned Fluid of Hard Spherocylinders", Molec. Phys, 83(1), 101-112 (1994).
- M. Mehta and D.A. Kofke, "Coexistence Diagrams of Mixtures by Molecular Simulation", Chem. Eng. Sci. 49(16), 2633-2645 (1994).
- D.A. Kofke and A.J. Post, "Hard Particles in Narrow Pores. Transfer-Matrix Solution and the Periodic Narrow Box", J. Chem. Phys. 98(6) 4853-4861 (1993).
- D.A. Kofke, "Direct Evaluation of Phase Coexistence by Molecular Simulation via Integration Along the Saturation Line", J. Chem. Phys. 98(5), 4149-4162 (1993).
- D.A. Kofke, "Gibbs-Duhem Integration: A New Method for Direct Evaluation of Phase Coexistence by Molecular Simulation" (Preliminary Communication), Molec. Phys. 78(6), 1331-1336 (1993).
- M. Mehta and D.A. Kofke, "Implementation of the Gibbs Ensemble Using a Thermodynamic Model for One of the Coexisting Phases", Molec. Phys. 79(1) 39-52 (1993).
- A.J. Post and D.A. Kofke, "Fluids Confined to Narrow Pores: A Low-dimensional Approach", Phys. Rev. A45(2), 939-952 (1992).
- D. A. Kofke, "1-1/2 Fluid Theory: A New Approach to Conformal Solutions", J. Chem. Phys. 95(10), 7518-7525 (1991).
- D. A. Kofke, "Solid-fluid Coexistence in Binary Hard Sphere Mixtures by Semigrand Monte Carlo Simulation", Molec. Sim, 7, 285-302 (1991).
- D.B. Kitchen, F. Hirata, J.D. Westbrook, R. Levy, D. Kofke, and M. Yarmush, "Conserving Energy During Molecular Dynamics Simulations of Water, Proteins, and Proteins in Water", J. Comp. Chem. 11(10), 1169-1180 (1990).
- D.A. Kofke and E.D. Glandt, "A Composition Density Functional Theory for Mixtures Based upon an Infinitely Polydisperse Reference. 2. Freezing in Hard Sphere Mixtures", J. Chem. Phys. 92(7), 4417-4425 (1990).
- D.A. Kofke and E.D. Glandt, "A Composition Density Functional Theory for Mixtures Based upon an Infinitely Polydisperse Reference. 1. Formalism and Theory", J. Chem. Phys. 92(1), 658-666 (1990).
- D.A. Kofke and E.D. Glandt, "Infinitely Polydisperse Fluids", J. Chem. Phys. 90(1), 439-447 (1989).
D.A. Kofke and E.D. Glandt, "Monte Carlo Simulation of Multicomponent Equilibria in a Semigrand Canonical Ensemble", Molec. Phys. 64(6), 1105-1131 (1988).
- E.D. Glandt and D.A. Kofke, "An Efficient Algorithm for the Computation of Pair Correlation Functions for Hard Spheres in the Percus-Yevick Theory", Molec. Phys. 64(1), 125-128 (1988)
- D.A. Kofke and E.D. Glandt, "Nearly Monodisperse Fluids. I. Monte Carlo Simulations of Lennard-Jones Particles in a Semigrand Ensemble" J. Chem. Phys. 87(8), 4881-4890, (1987).
- D.A. Kofke and E.D. Glandt, "Monte Carlo Simulation of Continuous Lennard-Jones Mixtures", Fluid Phase Equil., 29, 327-35, (1986).
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