Reaction ensemble molecular dynamics: Direct simulation of the dynamic equilibrium properties of chemically reacting mixtures-Reference-Cited by-同舟云学术

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

Published:2004-12-15 Issue:6 Volume:70 Page:
ISSN:1539-3755
Container-title:Physical Review E
language:en
Short-container-title:Phys. Rev. E

Author:

Brennan John K.,Lísal Martin,Gubbins Keith E.,Rice Betsy M.

Publisher

American Physical Society (APS)

Subject

Industrial and Manufacturing Engineering,Metals and Alloys,Strategy and Management,Mechanical Engineering

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevE.70.061103/fulltext

Reference31 articles.

1. Reactive canonical Monte Carlo

2. The reaction ensemble method for the computer simulation of chemical and phase equilibria. I. Theory and basic examples

3. Reactive Canonical Monte Carlo

4. Effect of confinement on chemical reaction equilibria: The reactions 2NO⇔(NO)2 and N2+3H2⇔2NH3 in carbon micropores

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1. Development of a Reaction–Diffusion–Convection Model and Its Application to NO Oxidation in Reactors;Industrial & Engineering Chemistry Research;2024-07-30

2. Molecular Simulation of Chemical Reaction Equilibrium by Computationally Efficient Free Energy Minimization;ACS Central Science;2018-08-23

3. Computer Simulations of Static and Dynamical Properties of Weak Polyelectrolyte Nanogels in Salty Solutions;Gels;2017-12-27

4. On the inner workings of Monte Carlo codes;Molecular Simulation;2013-12

5. Molecular-level simulations of chemical reaction equilibrium and diffusion in slit and cylindrical nanopores: model dimerisation reactions;Molecular Simulation;2013-11

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