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科研机构
过程工程研究所 [26]
内容类型
期刊论文 [26]
发表日期
2021 [26]
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浏览/检索结果:
共26条,第1-10条
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发表日期:2021
专题:过程工程研究所
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Visualized Reaction Tracking and Physical Property Analysis for a Picked 3D Area in a Reactive Molecular Dynamics Simulation System
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2021, 卷号: 37, 期号: 10, 页码: 11
作者:
Tang, Yujie
;
Zheng, Mo
;
Ren, Chunxing
;
Li, Xiaoxia
;
Guo, Li
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2021/08/31
ReaxFF MD
Regional reaction tracking
Physical property
Visualization
ReaxFF Molecular Dynamics Simulations of Thermal Reactivity of Various Fuels in Pyrolysis and Combustion
期刊论文
ENERGY & FUELS, 2021, 卷号: 35, 期号: 15, 页码: 11707-11739
作者:
Li, Xiaoxia
;
Zheng, Mo
;
Ren, Chunxing
;
Guo, Li
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/10/15
Molecular dynamics study on the stability of foot-and-mouth disease virus particle in salt solution
期刊论文
MOLECULAR SIMULATION, 2021, 页码: 8
作者:
Li, Chen
;
Chen, Wei
;
Lin, Xuan
;
Zhang, Songping
;
Wang, Yufei
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2021/08/31
Foot-and-mouth disease virus
saline solution
stability
molecular dynamics simulation
free energy calculation
Abnormal Enhanced Free Ions of Ionic Liquids Confined in Carbon Nanochannels
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021, 卷号: 12, 期号: 26, 页码: 6078-6084
作者:
Wang, Mi
;
Wang, Yanlei
;
Wang, Chenlu
;
Gan, Zhongdong
;
Huo, Feng
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2021/08/31
Hydrodynamics numerical simulation of a vertical falling film evaporator for ionic liquid systems
期刊论文
CHEMICAL ENGINEERING SCIENCE, 2021, 卷号: 237, 页码: 9
作者:
Hu, Zongyuan
;
Wang, Junnan
;
Dong, Haifeng
;
Hussain, Shahid
;
Zeng, Shaojuan
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2021/08/31
Ionic liquids
Falling film
Hydrodynamics
Numerical simulation
The study of the optical phonon frequency of 3C-SiC by molecular dynamics simulations with deep neural network potential
期刊论文
JOURNAL OF APPLIED PHYSICS, 2021, 卷号: 129, 期号: 24, 页码: 11
作者:
Chen, Wei
;
Li, Liang-Sheng
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2021/08/31
Insight of Synergistic Effect between CPP and Cargo on the Facilitation Mechanisms of R7-PTX Translocation: Experiments and Molecular Simulations
期刊论文
EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2021, 卷号: 161, 页码: 9
作者:
Wei, Yuping
;
Zhang, Caiying
;
Zhang, Man
;
Niu, Qionghong
;
Hui, Fengli
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2021/08/31
Cell penetrating peptide
Molecular dynamic simulation
Synergistic effect
Direct translocation
Endocytosis
Dynamic migration mechanism of organic oxygen in Fugu coal pyrolysis by large-scale ReaxFF molecular dynamics
期刊论文
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 2021, 卷号: 156, 页码: 9
作者:
Gao, Mingjie
;
Li, Xiaoxia
;
Guo, Xin
;
Chen, Lei
;
Sun, Laizhi
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2021/08/31
ReaxFF molecular dynamics simulation
Coal pyrolysis
Organic oxygen
Evolution trend
Migration mechanism
Anisotropic Growth of Silver Dendrites Regulated by Preferential Adsorption of Nitrate Ions on Crystal Facets
期刊论文
CRYSTAL RESEARCH AND TECHNOLOGY, 2021, 页码: 8
作者:
Huang, Haoyang
;
Dou, Xiangyu
;
Han, Yongsheng
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2021/08/31
Dendritic Structures
Growth Anisotropy
Nitrate Ion
Preferential Adsorption
Silver
Intensified Energy Storage in High-Voltage Nanohybrid Supercapacitors via the Efficient Coupling between TiNb2O7/Holey-rGO Nanoarchitectures and Ionic Liquid-Based Electrolytes
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2021, 卷号: 13, 期号: 18, 页码: 21349-21361
作者:
Liu, Ao
;
Zhang, Haitao
;
Xing, Chunxian
;
Wang, Yanlei
;
Zhang, Junwei
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2021/08/31
supercapacitor
electrolytes
energy storage mechanism
nanoarchitectures
ion transport
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