Works (8)
Updated: July 5th, 2023 15:59
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.
author keywords: Coarse-grain model; dissipative particle dynamics; many-body potential; product gas mixture; exponential-6 potential
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
6. Clean Water and Sanitation
(Web of Science)
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.
author keywords: Disordered nanoporous carbon; Macroscopic adsorption model; Reaction Ensemble Monte Carlo; Reaction equilibrium; Reactive adsorption isotherm
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
13. Climate Action
(Web of Science)
Sources: Web Of Science, NC State University Libraries
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.
author keywords: Monte Carlo; reaction; equilibria; simulation
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
13. Climate Action
(Web of Science)
Sources: Web Of Science, 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, 70(6).
TL;DR:
The reaction ensemble Molecular dynamics method is analogous to the grand canonical ensemble molecular dynamics technique, while using some elements of the osmotic molecular dynamics method, and so simulates conditions that directly relate to real, open systems.
(via Semantic Scholar)
open access via oai.dtic.mil (repository)
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
Sources: Web Of Science, 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.
author keywords: lattice model of supercritical solvent-surfactant systems; multicomponent solution model; spherical micelles; thermodynamics
Sources: Web Of Science, 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.
author keywords: fluctuations; carbon dioxide; 2CLJQ; Joule-Thomson coefficient; speed of sound
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
Sources: Web Of Science, 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.
author keywords: carbon dioxide; Joule-Thomson inversion curved; molecular simulation; Monte Carlo method
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
Sources: Web Of Science, 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.
Sources: NC State University Libraries, NC State University Libraries
Added: August 6, 2018
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