Surendra Kumar Jain

Works (11)

Updated: July 5th, 2023 15:56

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 

author keywords: Disordered nanoporous carbon; Macroscopic adsorption model; Reaction Ensemble Monte Carlo; Reaction equilibrium; Reactive adsorption isotherm
UN Sustainable Development Goals Color Wheel
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

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, NC State University Libraries
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 n, L. Naamar* & K. Gubbins n 

UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2007 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 

Sources: NC State University Libraries, NC State University Libraries
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

author keywords: adsorption; structure; porous carbons; nano-domains
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
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* & K. Gubbins* 

UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
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 n, J. Pikunic n & K. Gubbins n 

MeSH headings : Carbon / chemistry; Chemistry / methods; Computer Simulation; Hydrogen / chemistry; Models, Molecular; Models, Statistical; Models, Theoretical; Monte Carlo Method; Sucrose / chemistry; Surface Properties; Thermodynamics
TL;DR: A simulation protocol based on the reverse Monte Carlo method, which incorporates an energy constraint, is applied to model porous carbons in which hydrogen atoms are taken into account explicitly in addition to the carbon atoms and is found that the model reproduces the experimental pair correlation function with good accuracy. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2006 journal article

Ring connectivity: Measuring network connectivity in network covalent solids

LANGMUIR, 23(3), 1123–1130.

By: S. Jain n & K. Gubbins n 

TL;DR: This work presents a method to calculate the ring connectivity, or clustering, of rings, and finds that in a set of models of disordered carbons, obtained using a reverse Monte Carlo procedure, the five-, six-, and seven-membered rings are connected together, forming clusters. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
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 

author keywords: reverse Monte Carlo; carbon; pore size distribution; diffusivity
Sources: Web Of Science, NC State University Libraries
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 

author keywords: reverse Monte Carlo; molecular simulation; activation; adsorption
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

Citation Index includes data from a number of different sources. If you have questions about the sources of data in the Citation Index or need a set of data which is free to re-distribute, please contact us.

Certain data included herein are derived from the Web of Science© and InCites© (2025) of Clarivate Analytics. All rights reserved. You may not copy or re-distribute this material in whole or in part without the prior written consent of Clarivate Analytics.