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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 [9]
力学研究所 [1]
武汉岩土力学研究所 [1]
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OAI收割 [11]
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期刊论文 [11]
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2023 [1]
2022 [1]
2021 [2]
2020 [2]
2019 [2]
2016 [1]
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Materials ... [1]
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Atomic-level analysis of migration and transformation of organic sodium in high-alkali coal pyrolysis using reactive molecular dynamics simulations
期刊论文
OAI收割
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING, 2023, 卷号: 11, 期号: 3, 页码: 110189
作者:
Sun C(孙岑)
;
Zhu, Aixue
;
Xu, Tong
;
Wei XL(魏小林)
;
Hong, Dikun
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Chemical weathering mechanism of Albite-rich rocks in Grottoes under an acidic environment: An atomistic view from ReaxFF simulation
期刊论文
OAI收割
COMPUTATIONAL MATERIALS SCIENCE, 2022, 卷号: 211
作者:
Wang, Junxia
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Dynamic migration mechanism of organic oxygen in Fugu coal pyrolysis by large-scale ReaxFF molecular dynamics
期刊论文
OAI收割
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
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Dynamic trends for char/soot formation during secondary reactions of coal pyrolysis by large-scale reactive molecular dynamics
期刊论文
OAI收割
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 2021, 卷号: 155, 页码: 11
作者:
Zheng, Mo
;
Li, Xiaoxia
;
Guo, Li
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Capturing the dynamic profiles of products in Hailaer brown coal pyrolysis with reactive molecular simulations and experiments
期刊论文
OAI收割
FUEL, 2020, 卷号: 268, 页码: 12
作者:
Zheng, Mo
;
Pan, Yang
;
Wang, Ze
;
Li, Xiaoxia
;
Guo, Li
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Polymerization of aluminate monomer in its initial nucleation stage of organic alkali solution revealed by ReaxFF molecular dynamics simulation
期刊论文
OAI收割
CHEMICAL PHYSICS LETTERS, 2020, 卷号: 739, 页码: 9
作者:
Guo, Jianwei
;
Liu, Shuangyi
;
Wang, Zhi
;
Cao, Jianwei
;
Wang, Dong
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Dynamic profiles of tar products during Naomaohu coal pyrolysis revealed by large-scale reactive molecular dynamic simulation
期刊论文
OAI收割
FUEL, 2019, 卷号: 253, 页码: 910-920
作者:
Zheng, Mo
;
Li, Xiaoxia
;
Wang, Meijun
;
Guo, Li
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Structural model of Longkou oil shale kerogen and the evolution process under steam pyrolysis based on ReaxFF molecular dynamics simulation
期刊论文
OAI收割
ENERGY SOURCES PART A-RECOVERY UTILIZATION AND ENVIRONMENTAL EFFECTS, 2019, 页码: 14
作者:
Zhang, Zhijun
;
Chai, Jun
;
Zhang, Hanyu
;
Guo, Liting
;
Zhan, Jin-Hui
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Initial Reaction Mechanism of RP-3 High Temperature Oxidation Simulated with ReaxFF MD
期刊论文
OAI收割
ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 6, 页码: 1424-1433
作者:
Liu Xiao-Long
;
Li Xiao-Xia
;
Han Song
;
Qiao Xian-Jie
;
Zhong Bei-Jing
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Revealing chemical reactions of coal pyrolysis with GPU-enabled ReaxFF molecular dynamics and cheminformatics analysis
期刊论文
OAI收割
MOLECULAR SIMULATION, 2015, 卷号: 41, 期号: 1-3, 页码: 13-27
作者:
Li, Xiaoxia
;
Mo, Zheng
;
Liu, Jian
;
Guo, Li
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