Works (8)

Updated: July 5th, 2023 15:48

2019 journal article

Graphene oxide model with desirable structural and chemical properties

CARBON, 143, 566–577.

By: Q. Qiao *, C. Liu*, W. Gao n & L. Huang*

co-author countries: China 🇨🇳 United States of America 🇺🇸
Source: Web Of Science
Added: February 11, 2019

2016 journal article

Effect of confinement in nano-porous materials on the solubility of a supercritical gas

Molecular Physics, 114(22), 3294–3306.

By: Y. Hu*, L. Huang n, S. Zhao*, H. Liu* & K. Gubbins n 

co-author countries: China 🇨🇳 United States of America 🇺🇸
author keywords: Supercritical gas; solubility; confinement; simulation; density functional theory
Sources: Web Of Science, Crossref, ORCID
Added: August 6, 2018

2013 journal article

Controllable atomistic graphene oxide model and its application in hydrogen sulfide removal

The Journal of Chemical Physics, 139(19), 194707.

By: L. Huang n, M. Seredych *, T. Bandosz *, A. van Duin*, X. Lu * & K. Gubbins n 

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

2013 journal article

Reactive adsorption of ammonia and ammonia/water on CuBTC metal-organic framework: A ReaxFF molecular dynamics simulation

JOURNAL OF CHEMICAL PHYSICS, 138(3).

By: L. Huang n, T. Bandosz *, K. Joshi*, A. Duin* & K. Gubbins n 

co-author countries: United States of America 🇺🇸
MeSH headings : Adsorption; Ammonia / chemistry; Copper / chemistry; Molecular Dynamics Simulation; Organometallic Compounds / chemistry; Surface Properties; Water / chemistry
Sources: Web Of Science, ORCID
Added: August 6, 2018

2012 journal article

ReaxFF molecular dynamics simulation of thermal stability of a Cu3(BTC)2 metal–organic framework

Physical Chemistry Chemical Physics, 14(32), 11327.

By: L. Huang n, K. Joshi*, A. Duin*, T. Bandosz * & K. Gubbins n 

co-author countries: United States of America 🇺🇸
MeSH headings : Copper / chemistry; Molecular Dynamics Simulation; Organometallic Compounds / chemistry; Temperature; Tricarboxylic Acids / chemistry
Sources: Web Of Science, Crossref, ORCID
Added: August 6, 2018

2011 journal article

Novel ice structures in carbon nanopores: pressure enhancement effect of confinement

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 13(19), 9008–9013.

By: M. Jazdzewska*, M. Sliwinska-Bartkowiak*, A. Beskrovnyy*, S. Vasilovskiy*, S. Ting*, K. Chan *, L. Huang n, K. Gubbins n 

co-author countries: Hong Kong 🇭🇰 Poland 🇵🇱 Russian Federation 🇷🇺 United States of America 🇺🇸
MeSH headings : Carbon / chemistry; Ice; Molecular Structure; Nanostructures / chemistry; Porosity; Pressure; Silicon Dioxide / chemistry; Surface Properties
Sources: Web Of Science, ORCID
Added: August 6, 2018

2011 journal article

Toward Understanding Reactive Adsorption of Ammonia on Cu-MOF/Graphite Oxide Nanocomposites

LANGMUIR, 27(21), 13043–13051.

By: C. Petit *, L. Huang n, J. Jagiello, J. Kenvin, K. Gubbins n  & T. Bandosz *

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

2010 journal article

Melting Behavior of Bromobenzene within Carbon Nanotubes

JOURNAL OF CHEMICAL AND ENGINEERING DATA, 55(10), 4183–4189.

By: M. Sliwinska-Bartkowiak, M. Jazdzewska, K. Gubbins*  & L. Huang*

Sources: Web Of Science, ORCID
Added: August 6, 2018