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浏览/检索结果: 共10条，第1-10条 帮助 限定条件 发表日期：2018    内容类型：期刊论文     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Investigation of N behavior during coal pyrolysis and oxidation using ReaxFF molecular dynamics 期刊论文 FUEL, 2018, 卷号: 233, 页码: 867-876 作者:  Zheng, Mo;  Li, Xiaoxia;  Guo, Li 收藏  |  浏览/下载：32/0  |  提交时间：2018/10/11 Reaxff Molecular Dynamics  Coal Pyrolysis  Coal Oxidation  Nox Emission  Nitrogen Transformation  Reaction Mechanisms   Pyrolysis simulations of Fugu coal by large-scale ReaxFF molecular dynamics 期刊论文 FUEL PROCESSING TECHNOLOGY, 2018, 卷号: 178, 页码: 197-205 作者:  Gao, Mingjie;  Li, Xiaoxia;  Guo, Li 收藏  |  浏览/下载：38/0  |  提交时间：2018/10/11 Reaxff Molecular Dynamics  Coal Pyrolysis  Fugu Coal  Reaction Mechanism  Pyrolyzate Yield Prediction  Elevated Temperature Effect   Oxyhydroxide of metallic nanowires in a molecular H2O and H2O2 environment and their effects on mechanical properties 期刊论文 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 25, 页码: 17289-17303 作者:  Aral G;  Islam MM;  Wang YJ(王云江);  Ogata S;  van Duin ACT 收藏  |  浏览/下载：19/0  |  提交时间：2018/10/30 Initial reactivity differences between a 3-component surrogate model and a 24-component model for RP-1 fuel pyrolysis evaluated by ReaxFF MD 期刊论文 FUEL, 2018, 卷号: 222, 页码: 753-765 作者:  Han, Song;  Li, Xiaoxia;  Zheng, Mo;  Guo, Li 收藏  |  浏览/下载：49/0  |  提交时间：2018/06/11 Reaxff Md  Rp-1 Surrogate  Multi-component Model  Pyrolysis Reaction Pathways  Reactivity Evaluation   Molecular dynamics simulations of the coke formation progress on the nickel-based anode of solid oxide fuel cells 期刊论文 INTERNATIONAL COMMUNICATIONS IN HEAT AND MASS TRANSFER, 2018, 卷号: 91, 页码: 40-47 作者:  Lu, Haibin;  Hua, Dong;  Iqabl, Taosif;  Zhang, Xiongwen;  Li, Guojun 收藏  |  浏览/下载：7/0  |  提交时间：2019/11/26 Coke formation  ReaxFF-MD  Anode  Solid oxide fuel cell   Initial stage oxidation on nano-trenched Si(100) surface 期刊论文 JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2018, 卷号: 51 作者:  Sun, Yu;  Liu, Yi-Lun;  Izumi, Satoshi;  Chen, Xue-Feng;  Zhai, Zhi 收藏  |  浏览/下载：3/0  |  提交时间：2019/11/26 oxidation  ReaxFF MD  silicon  surface   Reaction Mechanisms in the Thermal Decomposition of CL-20 Revealed by ReaxFF Molecular Dynamics Simulations 期刊论文 ACTA PHYSICO-CHIMICA SINICA, 2018, 卷号: 34, 期号: 10, 页码: 1151-1162 作者:  Ren Chunxing;  Li Xiaoxia;  Guo Li 收藏  |  浏览/下载：44/0  |  提交时间：2018/07/06 Cl-20  Thermal Decomposition  Reaction Mechanism  Reaxff Md  Evolution Of Ring Structure   Thermal decomposition behaviour of polyethylene in oxygen-free and low oxygen content circumstances by reactive molecular dynamic simulation 期刊论文 MOLECULAR SIMULATION, 2018, 卷号: 44, 期号: 12, 页码: 954-964 作者:  Liao LJ(廖丽涓);  Meng CY(孟昶宇);  Huang CG(黄晨光) 收藏  |  浏览/下载：22/0  |  提交时间：2018/07/17 Thermal Decomposition  Molecular Dynamics  Reactive Force Field  Polyethylene  Oxygen Content   Insights on decomposition process of c-C4F8 and c-C4F8/N-2 mixture as substitutes for SF6 期刊论文 ROYAL SOCIETY OPEN SCIENCE, 2018, 卷号: 5, 期号: 10 作者:  Zhang, Ying;  Li, Yi;  Zhang, Xiaoxing;  Xiao, Song;  Tang, Ju 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/05 c-C4F8/N-2  ReaxFF-MD  density functional theory  decomposition   Molecular dynamics simulation of S. cerevisiae glucan destruction by plasma ROS based on ReaxFF 期刊论文 JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2018, 卷号: 51, 期号: 35 作者:  Cui, Jingxian;  Zhao, Tong;  Zou, Liang;  Wang, Xiaolong;  Zhang, Yuantao 收藏  |  浏览/下载：2/0  |  提交时间：2019/12/11 atmospheric pressure non-equilibrium plasma  reactive force field  molecular dynamics (ReaxFF MD)  reactive oxygen species  sterilization  food safety  glucan