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Changes in the three-dimensional molecular structure of coal during methane adsorption induced swelling
期刊论文
PROCESS SAFETY AND ENVIRONMENTAL PROTECTION, 2023, 卷号: 180, 页码: 56-66
作者:
Shen, Zhen
;
Liu, Yu
;
Lei, Junhuan
;
Shen WJ(沈伟军)
;
Wang, Yuheng
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2023/12/11
Methane adsorption
Chemical structure
Chemical bond
Coal macromolecular structure
Molecular Simulation of Nitrogen Adsorption in Multidimensional Nanopores and New Insights into the Inversion of Pore Size Distribution for Gas Shale
期刊论文
ENERGIES, 2023, 卷号: 16, 期号: 24, 页码: 20
作者:
Chen Z(陈卓)
;
Lin M(林缅)
;
Jiang WB(江文滨)
;
Cao GH(曹高辉)
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  |  
浏览/下载:2/0
  |  
提交时间:2024/02/05
shale
pore size distribution
molecular simulation
low-temperature nitrogen adsorption
The adsorption properties of NaY zeolite for separation of ethylene glycol and 1,2-butanediol: Experiment and molecular modelling
期刊论文
GREEN ENERGY & ENVIRONMENT, 2021, 卷号: 6, 期号: 1, 页码: 102-113
作者:
Xiong, Pei
;
He, Peng
;
Qu, Yixin
;
Wang, Liguo
;
Cao, Yan
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2021/08/31
Adsorption mechanism
Ethylene glycol (EG)
1,2-Butanediol (1,2-BDO)
NaY zeolite
Fixed-bed column tests
Hydrogen and CO2 storage in high surface area covalent triazine–based frameworks
会议论文
作者:
Deng, Q.-W.
;
Ren, G.-Q.
;
Li, Y.-J.
;
Yang, L.
;
Zhai, S.-L.
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  |  
浏览/下载:4/0
  |  
提交时间:2020/12/18
Adsorption
Carbon dioxide
Hydrogen fuels
Monte Carlo methodsAdsorption mechanism
Ambient conditions
Annealing treatments
CO2 adsorption
Defects induced
Grand canonical Monte carlo
High adsorption capacity
High surface area
Hydrogen and CO2 storage in high surface area covalent triazine–based frameworks
期刊论文
Materials Today Energy, 2020, 卷号: 18
作者:
Deng, Q.-W.
;
Ren, G.-Q.
;
Li, Y.-J.
;
Yang, L.
;
Zhai, S.-L.
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  |  
浏览/下载:5/0
  |  
提交时间:2020/11/14
Adsorption
Carbon dioxide
Hydrogen fuels
Monte Carlo methods
Adsorption mechanism
Ambient conditions
Annealing treatments
CO2 adsorption
Defects induced
Grand canonical Monte carlo
High adsorption capacity
High surface area
Combining Image Recognition and Simulation To Reproduce the Adsorption/Desorption Behaviors of Shale Gas
期刊论文
ENERGY & FUELS, 2020, 卷号: 34, 期号: 1, 页码: 258-269
作者:
Lin K(林岿)
;
Huang XF(黄先富)
;
Zhao YP(赵亚溥)
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  |  
浏览/下载:24/0
  |  
提交时间:2020/03/11
Review of Molecular Simulation Method for Gas Adsorption/desorption and Diffusion in Shale Matrix
期刊论文
Journal of Thermal Science, 2019, 卷号: 28, 页码: 1-16
作者:
Wand, Hui
;
Qu, Zhiguo
;
Yin, Ying
;
Bai, Junqiang
;
Yu, Bo
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  |  
浏览/下载:13/0
  |  
提交时间:2019/11/19
Adsorption/desorption
Alternative energy resources
Diffusion properties
Environment friendly
Gas production process
Grand canonical Monte carlo
Molecular dynamics simulations
Molecular simulations
Grand canonical Monte Carlo simulation on adsorption of aniline on the ice surface
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2019, 卷号: 290
作者:
Fu, Zihao
;
He, Ning
;
Zhou, Putian
;
Xie, Hong-Bin
;
Fu, Zhiqiang
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/12/02
Adsorption
Monte Carlo simulation
Aniline
Ice surface
Atmospheric chemistry
Performance evaluation of activated carbon with different pore sizes and functional groups for VOC adsorption by molecular simulation.
期刊论文
Chemosphere, 2019, 卷号: Vol.227, 页码: 9-16
作者:
An, Yaxiong
;
Fu, Qiang
;
Zhang, Donghui
;
Wang, Yayan
;
Tang, Zhongli
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  |  
浏览/下载:2/0
  |  
提交时间:2019/11/21
Functional group
Grand canonical Monte Carlo (GCMC)
Pore size
Volatile organic compounds (VOCs) adsorption
Lithium doping on 2D squaraine-bridged covalent organic polymers for enhancing adsorption properties: a theoretical study
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 9, 页码: 6487-6499
作者:
Chen, Wei
;
Huang, Ling
;
Yi, Xianfeng
;
Zheng, Anmin
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  |  
浏览/下载:22/0
  |  
提交时间:2018/11/05
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