中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
首页
机构
成果
学者
登录
注册
登陆
×
验证码:
换一张
忘记密码?
记住我
×
校外用户登录
CAS IR Grid
机构
过程工程研究所 [309]
采集方式
OAI收割 [309]
内容类型
期刊论文 [257]
学位论文 [41]
会议论文 [11]
发表日期
2023 [7]
2022 [34]
2021 [28]
2020 [19]
2019 [28]
2018 [22]
更多
学科主题
Molecular ... [4]
Cellulose [2]
Engineerin... [2]
Atomic For... [1]
Carbon Dio... [1]
Coal [1]
更多
筛选
浏览/检索结果:
共309条,第1-10条
帮助
限定条件
专题:过程工程研究所
第一署名单位
第一作者单位
通讯作者单位
条数/页:
5
10
15
20
25
30
35
40
45
50
55
60
65
70
75
80
85
90
95
100
排序方式:
请选择
提交时间升序
提交时间降序
发表日期升序
发表日期降序
题名升序
题名降序
作者升序
作者降序
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
  |  
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:19/0
  |  
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
  |  
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
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
Chemical structure effects on coal pyrolyzates and reactions by using large-scale reactive molecular dynamics
期刊论文
OAI收割
Fuel, 2022, 卷号: 327
作者:
Zheng, Mo
;
Li, Xiaoxia
;
Bai, Jin
;
Guo, Li
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2023/06/26
Cracking (chemical) - Indicators (chemical) - Mapping - Molecular dynamics - Reaction kinetics - Structure (composition) - Temperature - Thermogravimetric analysis
Investigation of N Transfer during Coal Char Oxidation by Reactive Molecular Dynamics
期刊论文
OAI收割
ENERGY & FUELS, 2022, 页码: 11
作者:
Zheng, Mo
;
Li, Xiaoxia
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2023/02/24
Partition model for trace elements between liquid metal and silicate melts involving the interfacial transition structure: An exploratory two-phase first-principles molecular dynamics study
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2022, 卷号: 364, 页码: 14
作者:
Sun, Yiwei
;
Qian, Guoyu
;
Pang, Sheng
;
Lu, Jijun
;
Guo, Jianwei
  |  
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2023/02/24
Partition model of trace elements
Two-phase first-principles molecular 
dynamics
Local coordination structure
Interfacial transition structure
Silicon slag refining