Works (8)

2018 journal article

Coarse-grain modelling using an equation-of-state many-body potential: application to fluid mixtures at high temperature and high pressure

MOLECULAR PHYSICS, 116(21-22), 3271–3282.

By: J. Larentzos, J. Mansell, M. Lisal & J. Brennan

Source: NC State University Libraries
Added: October 16, 2018

2008 journal article

Molecular-level simulations of chemical reaction equilibrium for nitric oxide dimerization reaction in disordered nanoporous carbons

Fluid Phase Equilibria, 272(1-2), 18–31.

By: M. Lisal, P. Cosoli, W. Smith, S. Jain & K. Gubbins

Source: NC State University Libraries
Added: August 6, 2018

2008 journal article

Simulation of chemical reaction equilibria by the reaction ensemble Monte Carlo method: a review

Molecular Simulation, 34(2), 119–146.

By: C. Turner, J. Brennan, M. Lisal, W. Smith, J. Johnson & K. Gubbins

Source: NC State University Libraries
Added: August 6, 2018

2004 journal article

Reaction ensemble molecular dynamics: Direct simulation of the dynamic equilibrium properties of chemically reacting mixtures

Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, 70(6).

By: J. Brennan, M. Lisal, K. Gubbins & B. Rice

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

Formation of Spherical Micelles in a supercritical Solvent: Lattice Monte Carlo simulation and multicomponent solution model

Molecular Simulation, 29(2), 139–157.

By: M. Lisal, C. Hall, K. Gubbins & A. Panagiotopoulos

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

Thermal properties of supercritical carbon dioxide by Monte Carlo simulations

Molecular Simulation, 29(6-7), 405–412.

By: C. Colina, C. Olivera-Fuentes, E. Siperstein, M. Lisal & K. Gubbins

Source: NC State University Libraries
Added: August 6, 2018

2002 journal article

Accurate CO2 Joule-Thomson inversion curve by molecular simulations

Fluid Phase Equilibria, 202(2), 253–262.

By: C. Colina, M. Lisal, F. Siperstein & K. Gubbins

Source: NC State University Libraries
Added: August 6, 2018

2002 journal article

Micellar behavior in supercritical solvent-surfactant systems from lattice Monte Carlo simulations

Fluid Phase Equilibria, 194(2002 Mar 30), 233–247.

By: M. Lisal, C. Hall, K. Gubbins & A. Panagiotopoulos

Source: NC State University Libraries
Added: August 6, 2018