Martin Lisal

Works (8)

Updated: July 5th, 2023 15:59
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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 n, M. Lisal* & J. Brennan *

co-author countries: Czechia 🇨🇿 United States of America 🇺🇸
author keywords: Coarse-grain model; dissipative particle dynamics; many-body potential; product gas mixture; exponential-6 potential
Source: Web Of Science
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 n & K. Gubbins n 

co-author countries: Canada 🇨🇦 Czechia 🇨🇿 Italy 🇮🇹 United States of America 🇺🇸
author keywords: Disordered nanoporous carbon; Macroscopic adsorption model; Reaction Ensemble Monte Carlo; Reaction equilibrium; Reactive adsorption isotherm
Sources: Web Of Science, ORCID
Added: August 6, 2018

2008 article

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

MOLECULAR SIMULATION, Vol. 34, pp. 119–146.

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

co-author countries: Canada 🇨🇦 Czechia 🇨🇿 United States of America 🇺🇸
author keywords: Monte Carlo; reaction; equilibria; simulation
Sources: Web Of Science, ORCID
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, 70(6).

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

co-author countries: Czechia 🇨🇿 United States of America 🇺🇸
Sources: Web Of Science, ORCID
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 n, C. Hall n , K. Gubbins n  & A. Panagiotopoulos *

co-author countries: United States of America 🇺🇸
author keywords: lattice model of supercritical solvent-surfactant systems; multicomponent solution model; spherical micelles; thermodynamics
Sources: Web Of Science, ORCID
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 n, C. Olivera-Fuentes *, F. Siperstein n, M. Lisal* & K. Gubbins n 

co-author countries: Czechia 🇨🇿 United States of America 🇺🇸 Venezuela (Bolivarian Republic of) 🇻🇪
author keywords: fluctuations; carbon dioxide; 2CLJQ; Joule-Thomson coefficient; speed of sound
Sources: Web Of Science, ORCID
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 n, M. Lisal*, F. Siperstein n & K. Gubbins n 

co-author countries: Czechia 🇨🇿 United States of America 🇺🇸
author keywords: carbon dioxide; Joule-Thomson inversion curved; molecular simulation; Monte Carlo method
Sources: Web Of Science, ORCID
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 n, C. Hall n , K. Gubbins n  & A. Panagiotopoulos *

co-author countries: United States of America 🇺🇸
Sources: NC State University Libraries, ORCID
Added: August 6, 2018