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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
过程工程研究所 [450]
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OAI收割 [450]
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期刊论文 [381]
学位论文 [52]
会议论文 [17]
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2023 [8]
2022 [52]
2021 [50]
2020 [36]
2019 [47]
2018 [39]
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Molecular ... [5]
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Electropumping of water in nanochannels using non-uniform electric fields
期刊论文
OAI收割
CHEMICAL ENGINEERING SCIENCE, 2023, 卷号: 267, 页码: 12
作者:
Xu, Yinxiang
;
Xu, Junbo
;
Liu, Huizhou
;
Yang, Chao
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2023/05/19
Electropumping
Net flow
Nanochannel
Molecular dynamics simulation
Non -uniform electric field
Trans-level multi-scale simulation of porous catalytic systems: Bridging reaction kinetics and reactor performance
期刊论文
OAI收割
CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 455, 页码: 14
作者:
Li, Chengxiang
;
Xu, Ji
;
Qiu, Tianhao
;
Sun, Zikang
;
Zhang, Haolei
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2023/02/24
Multi-scale model
Molecular dynamics simulation
Reaction kinetics
Catalyst
Mesoscale
Interfacial role of Ionic liquids in CO2 electrocatalytic Reduction: A mechanistic investigation
期刊论文
OAI收割
CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 457, 页码: 10
作者:
Guo, Shuai
;
Liu, Yawei
;
Wang, Yanlei
;
Dong, Kun
;
Zhang, Xiangping
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2023/05/19
Ionic liquids
CO(2 )electrocatalytic reduction reaction
Density functional theory
Transition state
Hydrogen bond
Molecular dynamics simulations
Revisiting the structure, interaction, and dynamical property of ionic liquid from the deep learning force field
期刊论文
OAI收割
JOURNAL OF POWER SOURCES, 2023, 卷号: 555, 页码: 8
作者:
Ling, Yulong
;
Li, Kun
;
Wang, Mi
;
Lu, Junfeng
;
Wang, Chenlu
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2023/02/24
Ionic liquids
Molecular dynamics simulations
Force field
Hydrogen bond
Machine learning
Revealing the wetting mechanism of Li plus -doped ionic liquids on the TiO2 surface
期刊论文
OAI收割
CHEMICAL ENGINEERING SCIENCE, 2023, 卷号: 265, 页码: 9
作者:
Wang, Chenlu
;
Liu, Guangyong
;
Cao, Renqiang
;
Xia, Yu
;
Wang, Yanlei
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2023/02/24
Ionic liquids
Lithium-ion
Electrode interface
Molecular dynamics simulation
Energy storage
Ionic liquids enable highly efficient Knoevenagel reaction by dual-responsive emulsion microreactor
期刊论文
OAI收割
CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 451, 页码: 9
作者:
Yuan, Xiaoqing
;
Liu, Ju
;
Wang, Yanlei
;
Jie, Xingming
;
Qin, Jingyu
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2023/02/24
Ionic liquids
Stimuli-responsive
Knoevenagel condensation
Emulsion microreactor
A new correlation model for predicting the melting and boiling temperatures of the Lennard-Jones systems
期刊论文
OAI收割
PHYSICA SCRIPTA, 2023, 卷号: 98, 期号: 1, 页码: 11
作者:
Sun, Chenyang
;
Zhang, Yaning
;
Hou, Chaofeng
;
Ge, Wei
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2023/02/24
molecular dynamics simulation
LJ potential
phase transition temperature
correlation model
Co-pyrolysis behaviors of coal and polyethylene by combining in-situ Py-TOF-MS and reactive molecular dynamics
期刊论文
OAI收割
FUEL, 2023, 卷号: 331, 页码: 14
作者:
Feng, Wei
;
Zheng, Mo
;
Jin, Lijun
;
Bai, Jin
;
Kong, Lingxue
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2023/02/24
Low-rank coal
Polyethylene
Co-pyrolysis
ReaxFF MD
Py-TOF-MS
Solvent effects on the interaction between alkali metal cations and 1,3-Diisopropoxycalix [4] arenecrown-6: Nuclear magnetic resonance spectroscopy and Independent Gradient Model Non-Covalent interactions analysis
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2022, 卷号: 367, 页码: 11
作者:
Xing, Huifang
;
Yang, Liangrong
;
Wang, Lu
;
Wang, Li
;
Meng, Qiyu
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2023/02/24
Solvent Effects
Weak Interaction
Alkali Metal Cations
BPC6
NMR
IGM Analysis
Planting Anion Channels in a Negatively Charged Polyamide Layer for Highly Selective Nanofiltration Separation
期刊论文
OAI收割
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2022, 页码: 12
作者:
Ren, Yuling
;
Qi, Pengfei
;
Wan, Yinhua
;
Chen, Chulong
;
Chen, Xiangrong
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2023/02/24
nanofiltration
highly selective membrane
desalination
polyamide
antifouling performance