Small-molecule gas sorption and diffusion in coal: Molecular simulation

Energy ◽  
2010 ◽  
Vol 35 (7) ◽  
pp. 2939-2944 ◽  
Author(s):  
Haixiang Hu ◽  
Xiaochun Li ◽  
Zhiming Fang ◽  
Ning Wei ◽  
Qianshu Li
Keyword(s):  
Molecular Simulation ◽  
Small Molecule ◽  
Gas Sorption ◽  
And Diffusion

scholarly journals Molecular Simulation of Shale Gas Adsorption and Diffusion in Clay Nanopores

Computation ◽  
2015 ◽  
Vol 3 (4) ◽  
pp. 687-700 ◽  
Author(s):  
Hongguang Sui ◽  
Jun Yao ◽  
Lei Zhang
Keyword(s):  
Molecular Simulation ◽  
Shale Gas ◽  
Gas Adsorption ◽  
And Diffusion

Gas sorption and diffusion in poly(dimethylsiloxane) (PDMS)/graphene oxide (GO) nanocomposite membranes

Polymer ◽  
2021 ◽  
Vol 212 ◽  
pp. 123185
Author(s):  
Jaesung Park ◽  
Heonjoo Ha ◽  
Hee Wook Yoon ◽  
Jungchul Noh ◽  
Ho Bum Park ◽  
...  
Keyword(s):  
Graphene Oxide ◽  
Gas Sorption ◽  
Nanocomposite Membranes ◽  
And Diffusion

scholarly journals Molecular Modeling Investigations of Sorption and Diffusion of Small Molecules in Glassy Polymers

Membranes ◽  
2019 ◽  
Vol 9 (8) ◽  
pp. 98 ◽  
Author(s):  
Niki Vergadou ◽  
Doros N. Theodorou
Keyword(s):  
Small Molecules ◽  
Molecular Simulation ◽  
Glassy Polymer ◽  
Polymeric Materials ◽  
Gas Separations ◽  
Polymeric Systems ◽  
Wide Range ◽  
Multiscale Problem ◽  
Polymer Configurations ◽  
And Diffusion

With a wide range of applications, from energy and environmental engineering, such as in gas separations and water purification, to biomedical engineering and packaging, glassy polymeric materials remain in the core of novel membrane and state-of the art barrier technologies. This review focuses on molecular simulation methodologies implemented for the study of sorption and diffusion of small molecules in dense glassy polymeric systems. Basic concepts are introduced and systematic methods for the generation of realistic polymer configurations are briefly presented. Challenges related to the long length and time scale phenomena that govern the permeation process in the glassy polymer matrix are described and molecular simulation approaches developed to address the multiscale problem at hand are discussed.

scholarly journals Molecular simulation of CO2/CH4/H2O competitive adsorption and diffusion in brown coal

RSC Advances ◽  
2019 ◽  
Vol 9 (6) ◽  
pp. 3004-3011 ◽  
Author(s):  
Wenning Zhou ◽  
Haobo Wang ◽  
Zhe Zhang ◽  
Hongxia Chen ◽  
Xunliang Liu
Keyword(s):  
Molecular Simulation ◽  
Brown Coal ◽  
Competitive Adsorption ◽  
Md Simulations ◽  
And Diffusion

Competitive adsorption and diffusion behaviours of CO2/CH4/H2O in brown coal were explored by GCMC and MD simulations.

Gas sorption and diffusion damages by guar-based fracturing fluid for CBM reservoirs

Fuel ◽  
2019 ◽  
Vol 251 ◽  
pp. 30-44 ◽  
Author(s):  
Qiming Huang ◽  
Shimin Liu ◽  
Gang Wang ◽  
Bing Wu ◽  
Yun Yang ◽  
...  
Keyword(s):  
Gas Sorption ◽  
Fracturing Fluid ◽  
And Diffusion
Sign in / Sign up

Export Citation Format

Share Document