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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
金属研究所 [9]
过程工程研究所 [6]
力学研究所 [2]
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OAI收割 [21]
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期刊论文 [20]
会议论文 [1]
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2017 [2]
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Chemistry,... [1]
Ionic Liqu... [1]
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Prediction of chemical short-range order in high-/medium-entropy alloys
期刊论文
OAI收割
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2024, 卷号: 169, 页码: 115-123
作者:
Cao, Pei-Yu
;
Wang, Jing
;
Jiang, Ping
;
Wang, Yun-Jiang
;
Yuan, Fu-Ping
  |  
收藏
  |  
浏览/下载:75/0
  |  
提交时间:2023/10/10
Short-range order
High-entropy alloy
Microstructure
First-principles calculation
Gibbs free energy
Local electronic density of states
Research on type I kerogen molecular simulation and docking between kerogen and saturated hydrocarbon molecule during oil generation
期刊论文
OAI收割
CHEMICAL GEOLOGY, 2023, 卷号: 617, 页码: 10
作者:
Liang, Tian
;
Zhan, Zhao-Wen
;
Zou, Yan-Rong
;
Lin, Xiao-Hui
;
Shan, Yun
  |  
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2024/08/21
Type I kerogen
Molecular structure
Saturated hydrocarbon
Gibbs free energy
Hydrocarbon expulsion
Measurement and accurate prediction of surface tension for VOSO4-H2SO4-H2O ternary electrolyte system at high-concentration in vanadium redox flow batteries
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2022, 卷号: 365, 页码: 8
作者:
Qin, Ye
;
Qi, Peixia
;
Zhao, Jinling
;
Li, Xiangrong
;
Wang, Na
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2023/05/09
Vanadium redox flow battery
Electrolyte
Surface tension
Vanadyl sulfate
Molar surface Gibbs free energy
Eotvos equation
Measurement and accurate prediction of surface tension for VOSO4-H2SO4-H2O ternary electrolyte system at high-concentration in vanadium redox flow batteries
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2022, 卷号: 365, 页码: 8
作者:
Qin, Ye
;
Qi, Peixia
;
Zhao, Jinling
;
Li, Xiangrong
;
Wang, Na
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2023/05/09
Vanadium redox flow battery
Electrolyte
Surface tension
Vanadyl sulfate
Molar surface Gibbs free energy
Eotvos equation
Insight into the interatomic competitive mechanism for interfacial stability of room temperature liquid GaInSn/Cu electrode
期刊论文
OAI收割
MATERIALS CHEMISTRY AND PHYSICS, 2021, 卷号: 270, 页码: 14
作者:
Gao, Zhaoqing
;
Chen, Yinbo
;
Dong, Chong
;
Chen, Fei
;
Huang, Mingliang
  |  
收藏
  |  
浏览/下载:58/0
  |  
提交时间:2021/10/15
Liquid GaInSn alloys
Interfacial stability
Interatomic affinity
Competitive reactive mechanism
Gibbs free energy change
Effects of Ionic Liquids on the Thermodynamics of Hydrogen Activation by Frustrated Lewis Pairs: A Density Functional Theory Study**
期刊论文
OAI收割
ChemPhysChem, 2021, 卷号: 22, 期号: 10, 页码: 968-974
作者:
Liu, Xiaoqing
;
Li, Xue
;
Yao, Xiaoqian
;
Zhao, Weizhen
;
Liu, Lei
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2023/06/21
Density functional theory - Chemical activation - Solvents - Electronic structure - Hydrogen - Hydrogen bonds - Gibbs free energy - Density of liquids - Molecular structure
Thermodynamic evaluation of sorption-enhanced chemical looping gasification with coal as fuel
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2020, 卷号: 45, 期号: 41, 页码: 21186-21194
作者:
Li, Bowen
;
Wang, Shuai
;
Yang, Xuesong
;
Wu, Qiang
;
He, Yurong
  |  
收藏
  |  
浏览/下载:30/0
  |  
提交时间:2020/10/30
Chemical looping gasification
Coal
Sorption
Gibbs free energy
Investigation of the electrolyte properties for the vanadium redox flow battery (VI): Measurement and prediction of surface tension of aqueous VOSO4 at 283.15 to 313.15 K
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 225, 页码: 296-301
Li, Xiangrong
;
Zhao, Jinling
;
Qin, Ye
;
Xu, Weiguo
;
Liu, Jianguo
;
Yang, Jiazhen
;
Xu, Qian
;
Yan, Chuanwei
收藏
  |  
浏览/下载:218/0
  |  
提交时间:2017/08/17
Vanadium redox flow battery
Electrolyte
Vanadyl sulfate
Surface tension
Molar surface Gibbs free energy
Elitvos equation
Elucidating ozonation mechanisms of organic micropollutants based on DFT calculations: Taking sulfamethoxazole as a case
期刊论文
OAI收割
ENVIRONMENTAL POLLUTION, 2017, 页码: 971-980
作者:
Zhang, Siyu
;
Yu, Gang
;
Chen, Jingwen
;
Zhao, Qing
;
Zhang, Xuejiao
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2017/05/11
Ozonation mechanism
Organic micropollutant
Sulfamethoxazole
Density functional theory
Gibbs free energy
Estimation of thermodynamic properties of Cu-La binary alloy with modified Miedema's theory
期刊论文
OAI收割
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 卷号: 90, 期号: 1, 页码: 11-17
Li, Hai-hong
;
Zhang, Shi-hong
;
Chen, Yan
;
Cheng, Ming
;
Song, Hong-wu
;
Liu, Jin-song
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2016/04/21
Cu-La alloy
thermodynamics
activity
Gibbs free energy
Miedema's theory