Surendra Kumar Jain

Works (11)

Updated: July 5th, 2023 15:56
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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

2007 journal article

Adsorption and dynamics of argon in porous carbons

European Physical Journal. Special Topics, 141, 121–125.

By: B. Coasne, S. Jain & K. Gubbins 

Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2007 journal article

Freezing of argon in ordered and disordered porous carbon

PHYSICAL REVIEW B, 76(8).

By: B. Coasne*, S. Jain*, L. Naamar & K. Gubbins* 

co-author countries: France 🇫🇷
Sources: Web Of Science, ORCID
Added: August 6, 2018

2007 journal article

Ring connectivity: Measuring network connectivity in network covalent solids

LANGMUIR, 23(3), 1123–1130.

By: S. Jain n & K. Gubbins n 

co-author countries: United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2006 journal article

Adsorption and structure of argon in activated porous carbons

MOLECULAR SIMULATION, 32(7), 557–566.

By: B. Coasne*, K. Gubbins n , F. Hung* & S. Jain n

co-author countries: France 🇫🇷 United States of America 🇺🇸
author keywords: adsorption; structure; porous carbons; nano-domains
Sources: Web Of Science, ORCID
Added: August 6, 2018

2006 article

Adsorption, structure and dynamics of fluids in ordered and disordered models of porous carbons

MOLECULAR PHYSICS, Vol. 104, pp. 3491–3499.

By: B. Coasne*, S. Jain n & K. Gubbins n 

co-author countries: France 🇫🇷 United States of America 🇺🇸
Sources: Web Of Science, ORCID
Added: August 6, 2018

2006 journal article

Freezing of fluids confined in a disordered nanoporous structure

Physical Review Letters, 97(10).

By: B. Coasne, S. Jain & K. Gubbins 

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

2006 journal article

Molecular modeling of porous carbons using the hybrid reverse Monte Carlo method

LANGMUIR, 22(24), 9942–9948.

By: S. Jain n, R. Pellenq *, J. Pikunic* & K. Gubbins* 

co-author countries: United Kingdom of Great Britain and Northern Ireland 🇬🇧 United States of America 🇺🇸
MeSH headings : Carbon / chemistry; Chemistry / methods; Computer Simulation; Hydrogen / chemistry; Models, Molecular; Models, Statistical; Models, Theoretical; Monte Carlo Method; Sucrose / chemistry; Surface Properties; Thermodynamics
Sources: Web Of Science, ORCID
Added: August 6, 2018

2006 conference paper

Stability of porous carbon structures obtained from reverse Monte Carlo using tight binding and bond order Hamiltonians

Characterization of porous solids vii - proceedings of the 7th international symposium on the characterization of porous solids (cops-vii), aix-en-provence, france, 26-28 may 2005, 160, 169–176.

By: S. Jain n, J. Fuhr, R. Pellenq, J. Pikunic*, C. Bichara & K. Gubbins n 

co-author countries: United Kingdom of Great Britain and Northern Ireland 🇬🇧 United States of America 🇺🇸
Sources: NC State University Libraries, ORCID
Added: August 6, 2018

2006 journal article

Structure of saccharose-based carbon and transport of confined fluids: hybrid reverse Monte Carlo reconstruction and simulation studies

MOLECULAR SIMULATION, 32(7), 567–577.

By: T. Nguyen*, S. Bhatia *, S. Jain n & K. Gubbins n 

co-author countries: Australia 🇦🇺 United States of America 🇺🇸
author keywords: reverse Monte Carlo; carbon; pore size distribution; diffusivity
Sources: Web Of Science, ORCID
Added: August 6, 2018

2005 article

Effects of activation on the structure and adsorption properties of a nanoporous carbon using molecular simulation

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY, Vol. 11, pp. 355–360.

By: S. Jain n, J. Pikunic n, R. Pellenq * & K. Gubbins n 

co-author countries: France 🇫🇷 United Kingdom of Great Britain and Northern Ireland 🇬🇧 United States of America 🇺🇸
author keywords: reverse Monte Carlo; molecular simulation; activation; adsorption
Sources: Web Of Science, ORCID
Added: August 6, 2018