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Defining kerogen maturity from orbital hybridization by machine learning 期刊论文
FUEL, 2022, 卷号: 310, 页码: 10
Authors:  Ma J(马俊);  Kang DL(康东亮);  Wang XH(王晓荷);  Zhao YP(赵亚溥)
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Kerogen maturity  Orbital hybridization  Machine learning  Quantum chemistry  
Predicting the components and types of kerogen in shale by combining machine learning with NMR spectra 期刊论文
FUEL, 2021, 卷号: 290, 页码: 10
Authors:  Kang DL(康东亮);  Wang XH(王晓荷);  Zheng XJ(郑晓娇);  Zhao YP(赵亚溥)
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Machine learning  Kerogen and shale  Molecular structure  High-throughput prediction  NMR spectra datasets  
The time-temperature-maturity relationship: A chemical kinetic model of kerogen evolution based on a developed molecule-maturity index 期刊论文
FUEL, 2020, 卷号: 278, 页码: 14
Authors:  Wang XH(王晓荷);  Zhao YP(赵亚溥)
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Kerogen thermal evolution  Kerogen maturity index  Vitrinite reflectance  Chemical kinetic model  Activation energy  
The Constructions and Pyrolysis of 3D Kerogen Macromolecular Models: Experiments and Simulations 期刊论文
GLOBAL CHALLENGES, 2019, 卷号: 3, 期号: 5, 页码: 1900006
Authors:  Wang XH(王晓荷);  Huang XF(黄先富);  Lin K(林岿);  Zhao YP(赵亚溥)
View  |  Adobe PDF(4817Kb)  |  Favorite  |  View/Download：235/78  |  Submit date：2020/03/21
chemical kinetics  hybrid MD  fbMC approach  kerogen  macromolecular models  pyrolysis  
The Constructions and Pyrolysis of 3D Kerogen Macromolecular Models: Experiments and Simulations 期刊论文
GLOBAL CHALLENGES, 2019, 卷号: 3, 期号: 5, 页码: 1900006
Authors:  Wang XH(王晓荷);  Huang XF(黄先富);  Lin K(林岿);  Zhao YP(赵亚溥)
View  |  Adobe PDF(4817Kb)  |  Favorite  |  View/Download：258/99  |  Submit date：2020/03/21
chemical kinetics  hybrid MD  fbMC approach  kerogen  macromolecular models  pyrolysis  
Molecular dynamics simulation and molecular orbital method 图书章节
2018
Authors:  Zhao YP(赵亚溥);  Wang FC(王奉超);  Chi M(池美)
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Dynamics of Dissolutive Wetting: A Molecular Dynamics Study 期刊论文
LANGMUIR, 2017, 卷号: 33, 期号: 26, 页码: 6464-6470
Authors:  Yuan QZ(袁泉子);  Yang, Jinhong;  Sui, Yi;  Zhao YP(赵亚溥);  Yuan, QZ;  Zhao, YP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.;  Zhao, YP (reprint author), Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China.
View  |  Adobe PDF(1049Kb)  |  Favorite  |  View/Download：467/155  |  Submit date：2017/10/25
Molecular dynamics simulations of the enhanced recovery of confined methane with carbon dioxide 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 卷号: 17, 期号: 47, 页码: 31887-31893
Authors:  Yuan QZ(袁泉子);  Zhu XY;  Lin K;  Zhao YP(赵亚溥);  Zhao, YP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
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Molecular Dynamics Simulation of Self-Aggregation of Asphaltenes at an Oil/Water Interface: Formation and Destruction of the Asphaltene Protective Film 期刊论文
ENERGY & FUELS, 2014, 卷号: 29, 期号: 2, 页码: 1233-1242
Authors:  Liu J;  Zhao YP(赵亚溥);  Ren SL;  Ren, SL (reprint author), Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R China.
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Phase transitions of a water overlayer on charged graphene: from electromelting to electrofreezing 期刊论文
NANOSCALE, 2014, 卷号: 6, 期号: 10, 页码: 5432-5437
Authors:  Zhu XY;  Yuan QZ(袁泉子);  Zhao YP(赵亚溥);  Zhao, YP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
View  |  Adobe PDF(1493Kb)  |  Favorite  |  View/Download：774/234  |  Submit date：2014/06/05