PUBLICATIONS
- M. Lisal, K. Watanabe and V. Vacek, "Calculation of second virial coefficients
and gaseous viscosities of the refrigerants HFC-32 (CH2F2), HFC-23 (CHF3),
and HCFC-22 (CHClF2)"
International Journal of Thermophysics 17: 1269-1280 (1996).
- M. Lisal and V. Vacek, "Effective potentials for liquid simulation of the
alternative refrigerants HFC-32 (CH2F2) and HFC-23 (CHF3)"
Fluid Phase Equilibria 118: 61-76 (1996).
[PDF]
- M. Lisal and V. Vacek, "Molecular dynamics simulations of fluorinated ethanes"
Molecular Physics 87: 167-187 (1996).
[PDF]
- M. Lisal and V. Vacek, "Direct evaluation of vapour-liquid equilibria by
molecular dynamics using Gibbs-Duhem integration"
Molecular Simulation 17: 27-39 (1996).
- M. Lisal and V. Vacek, "Direct evaluation of vapour-liquid equilibria of
mixtures by molecular dynamics using Gibbs-Duhem integration"
Molecular Simulation 18: 75-99 (1996).
- M. Lisal and V. Vacek, "Effective potentials for liquid simulation of the
alternative refrigerants HFC-134a (CF3CH2F) and HFC-125 (CF3CHF2)"
Fluid Phase Equilibria 127: 83-102 (1997).
[PDF]
- M. Lisal, R. Budinsky and V. Vacek, "Vapour-liquid equilibria for dipolar
two-centre Lennard-Jones fluids by Gibbs-Duhem integration"
Fluid Phase Equilibria 135: 193-207 (1997).
[PDF]
- M. Lisal and V. Vacek, "Direct evaluation of solid-liquid equilibria by molecular
dynamics using Gibbs-Duhem integration"
Molecular Simulation 19: 43-61 (1997).
- H. L. Vortler, I. Nezbeda and M. Lisal, "The Exp-6 potential fluid at very high
pressures. Computer simulations and theory"
Molecular Physics 92: 813-824 (1997).
[PDF]
- M. Lisal, R. Budinsky, V. Vacek and K. Aim, "Vapor-liquid equilibria of
alternative refrigerants by molecular dynamics simulations"
International Journal of Thermophysics 20: 163-174 (1999).
- M. Lisal and I. Nezbeda, "Pure fluids of homonuclear and heteronuclear
square-well diatomics. I. Computer simulation study"
Molecular Physics 96: 335-347 (1999).
[PDF]
- M. Lisal, I. Nezbeda and H. L. Vortler, "Fluid-solid boundary of the
compressed EXP-6 fluids"
Fluid Phase Equilibria 154: 49-54 (1999).
[PDF]
- M. Lisal, I. Nezbeda and W. R. Smith, "The reaction ensemble method for the
computer simulation of chemical and phase equilibria. II. The Br2+Cl2+BrCl
system"
Journal of Chemical Physics 110: 8597-8604 (1999).
[PDF]
- M. Lisal and K. Aim , "Vapor-liquid equilibrium, fluid state, and
zero-pressure solid properties of chlorine from anisotropic interaction
potential by molecular dynamics"
Fluid Phase Equilibria 161: 241-256 (1999).
[PDF]
- M. Lisal, W. R. Smith and I. Nezbeda, "Accurate computer simulation of phase
equilibrium for complex fluid mixtures. Application to binaries involving
isobutene, methanol, methyl tert-butyl ether, and n-butane"
Journal of Physical Chemistry B
103: 10496-10505 (1999).
[PDF]
- M. Lisal, W. R. Smith and I. Nezbeda, "Molecular simulation of multicomponent
reaction and phase equilibria in MTBE ternary system"
AIChE Journal 46: 866-875 (2000).
[PDF]
- M. Lisal, K. Aim and J. Fischer, "Vapour-liquid equilibria of dipolar two-centre
Lennard-Jones fluids from a physically based equation of state and computer
simulations"
Molecular Simulation 23: 363-388 (2000).
- M. Lisal, W. R. Smith and I. Nezbeda, "Computer simulation of the thermodynamic
properties of high-temperature chemically-reacting plasmas"
Journal of Chemical Physics 113: 4885-4895 (2000).
[PDF]
- W.R. Smith, M. Lisal and R.W. Missen, "The Pitzer-Lee-Kesler-Teja (PLKT) strategy and
its implementation by meta-computing software"
Chemical Engineering Education (in press) 2000.
- M. Lisal, W. R. Smith and I. Nezbeda, "Accurate vapour-liquid equilibrium calculations
for complex systems using the reaction Gibbs ensemble Monte Carlo simulation method"
Fluid Phase Equilibria submitted (2000).
- V. Jirasek, S. Labik, A. Malijevsky and M. Lisal,
"An integral equation and Monte Carlo study of homo- and hetero-nuclear
square-well diatomic fluids"
Molecular Physics in press (2000).
- I. Nezbeda and M. Lisal,
"Effect of short- and long-range forces on the thermodynamic properties of water.
A simple short-range reference system"
Molecular Physics in press (2000).