徐加放教授课题组

Molecular dynamics study of the thermosensitive properties of poly (N-vinyl caprolactam) in water

2021

期刊 Fluid Phase Equilibria

作者 Moussa Camara · Jiafang Xu · Tingji Ding · Weidong Zhou · Jinsheng Sun · Hualin Liao · Jun Zhang

Comparison of the effect of poly(N-vinyl caprolactam) and poly(N-isopropyl acrylamide) trimers on the stability of hydrated Na-montmorillonite: A molecular dynamics study

2020

期刊 Polymers and Polymer Composites

作者 Jiafang Xu · Moussa Camara · Hualin Liao · Hong Guo · Kouassi Louis Kra · Jinxiang Liu

Unraveling nucleation pathway in methane clathrate formation

2020

期刊 Proceedings of the National Academy of Sciences

作者 Liwen Li · Jie Zhong · Youguo Yan · Jun Zhang · Jiafang Xu · Joseph S. Francisco · Xiao-Cheng Zeng

Molecular dynamics study of the intercalation and conformational transition of poly (N-vinyl caprolactam), a thermosensitive polymer in hydrated Na-montmorillonite

2019

期刊 Polymer

作者 Moussa Camara · Hualin Liao · Jiafang Xu · Jun Zhang · Rogers Swai

Molecular Insights into Cage Occupancy of Hydrogen Hydrate: A Computational Study

2019

期刊 Processes

作者 Ma · Zhong · Liu · Yan · Zhang · Xu

The molecular mechanism of the inhibition effects of PVCaps on the growth of sI hydrate: an unstable adsorption mechanism

2018

期刊 Physical Chemistry Chemical Physics

作者 Jiafang Xu · Liwen Li · Jinxiang Liu · Xiaopu Wang · Youguo Yan · Jun Zhang

A molecular dynamic study on the dissociation mechanism of SI methane hydrate in inorganic salt aqueous solutions

2017

期刊 Journal of Molecular Graphics and Modelling

作者 Jiafang Xu · Zhe Chen · Jinxiang Liu · Zening Sun · Xiaopu Wang · Jun Zhang

Formation of clathrate cages of sI methane hydrate revealed by ab initio study

2017

期刊 Energy

作者 Jinxiang Liu · Jian Hou · Jiafang Xu · Haiying Liu · Gang Chen · Jun Zhang

Molecular dynamics simulation of hydrated Na-montmorillonite with inorganic salts addition at high temperature and high pressure

2017

期刊 Applied Clay Science

作者 Moussa Camara · Jiafang Xu · Xiaopu Wang · Jun Zhang · Zhe Chen · Xiaodi Li

Molecular dynamics study of the swelling patterns of Na/Cs-, Na/Mg-montmorillonites and hydration of interlayer cations

2017

期刊 Molecular Simulation

作者 Jiafang Xu · Moussa Camara · Jinxiang Liu · Lin Peng · Rui Zhang · Tingji Ding

Molecular dynamics simulations of the morphology transformations in unzipped carbon nanotubes

2016

期刊 Chemical Physics Letters

作者 Jiafang Xu · Yingnan Zhang · Tao Wang · Xin Zheng · Wen Li · Zihan Dong · Wensen Wang

Replacement micro-mechanism of CH4 hydrate by N2/CO2 mixture revealed by ab initio studies

2016

期刊 Computational Materials Science

作者 Jinxiang Liu · Yujie Yan · Jiafang Xu · Shujuan Li · Gang Chen · Jun Zhang

Theoretical investigation of exchange of N2 and H2 in sII clathrate hydrates

2016

期刊 Chemical Physics Letters

作者 Jinxiang Liu · Jian Hou · Jiafang Xu · Haiying Liu · Shujuan Li · Gang Chen · Jun Zhang

Molecular dynamics study on the dissociation of methane hydrate via inorganic salts

2015

期刊 Molecular Physics

作者 Jiafang Xu · Tiantian Gu · Zening Sun · Xiaodi Li · Xiaopu Wang

Effect of surfactant headgroups on the oil/water interface: An interfacial tension measurement and simulation study

2013

期刊 Journal of Molecular Structure

作者 Jiafang Xu · Yang Zhang · Haixiang Chen · Pan Wang · Zhenhua Xie · Yongji Yao · Youguo Yan · Jun Zhang

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Molecular dynamics study of the thermosensitive properties of poly (N-vinyl caprolactam) in water

Comparison of the effect of poly(N-vinyl caprolactam) and poly(N-isopropyl acrylamide) trimers on the stability of hydrated Na-montmorillonite: A molecular dynamics study

Unraveling nucleation pathway in methane clathrate formation

Molecular dynamics study of the intercalation and conformational transition of poly (N-vinyl caprolactam), a thermosensitive polymer in hydrated Na-montmorillonite

Molecular Insights into Cage Occupancy of Hydrogen Hydrate: A Computational Study

The molecular mechanism of the inhibition effects of PVCaps on the growth of sI hydrate: an unstable adsorption mechanism

A molecular dynamic study on the dissociation mechanism of SI methane hydrate in inorganic salt aqueous solutions

Formation of clathrate cages of sI methane hydrate revealed by ab initio study

Molecular dynamics simulation of hydrated Na-montmorillonite with inorganic salts addition at high temperature and high pressure

Molecular dynamics study of the swelling patterns of Na/Cs-, Na/Mg-montmorillonites and hydration of interlayer cations

Molecular dynamics simulations of the morphology transformations in unzipped carbon nanotubes

Replacement micro-mechanism of CH4 hydrate by N2/CO2 mixture revealed by ab initio studies

Theoretical investigation of exchange of N2 and H2 in sII clathrate hydrates

Molecular dynamics study on the dissociation of methane hydrate via inorganic salts

Effect of surfactant headgroups on the oil/water interface: An interfacial tension measurement and simulation study