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, ORCID
Added: August 6, 2018

2003 journal article

Effects of supercritical clustering and selective confinement on reaction equilibrium: A molecular simulation study of the esterification reaction

JOURNAL OF CHEMICAL PHYSICS, 119(12), 6057–6067.

By: C. Turner n & K. Gubbins n

UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
13. Climate Action (Web of Science)
Sources: Web Of Science, ORCID
Added: August 6, 2018

2002 journal article

Effect of confinement by porous materials on chemical reaction kinetics

JOURNAL OF CHEMICAL PHYSICS, 116(5), 2138–2148.

By: C. Turner n, J. Brennan n, J. Johnson* & K. Gubbins n

UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, ORCID
Added: August 6, 2018

2002 article

Simulation of chemical reaction equilibria and kinetics in heterogeneous carbon micropores

Turner, C. H., Brennan, J. K., Pikunic, J., & Gubbins, K. E. (2002, August 15). APPLIED SURFACE SCIENCE, Vol. 196, pp. 366–374.

By: C. Turner n, J. Brennan n, J. Pikunic n & K. Gubbins n

author keywords: reaction; kinetics; equilibrium; carbon; pores; simulation
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, ORCID
Added: August 6, 2018

2001 journal article

Influence of chemical and physical surface heterogeneity on chemical reaction equilibria in carbon micropores

MOLECULAR PHYSICS, 99(24), 1991–2001.

By: C. Turner n, J. Pikunic n & K. Gubbins n

UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, ORCID
Added: August 6, 2018

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