| Evaporation of R32/R152a mixtures on the Pt surface: A molecular dynamics study S Cai, Q Li, C Liu, Y Zhou International Journal of Refrigeration 113, 156-163, 2020 | 45 | 2020 |
| Effects of lubricant on evaporation and boiling processes of R1234ze (E): a molecular dynamics study S Cai, C Wu, X Li, Q Li Applied Thermal Engineering 193, 117009, 2021 | 34 | 2021 |
| Molecular insight of flow property for gas-water mixture (CO2/CH4-H2O) in shale organic matrix L Zhang, Q Li, C Liu, Y Liu, S Cai, S Wang, Q Cheng Fuel 288, 119720, 2021 | 29 | 2021 |
| Transport property of methane and ethane in K-illite nanopores of shale: insights from molecular dynamic simulations L Zhang, C Liu, Y Liu, Q Li, Q Cheng, S Cai Energy & fuels 34 (2), 1710-1719, 2020 | 28 | 2020 |
| Effects of mole fraction and surface wettability on evaporation of Ar/Kr mixtures: A molecular dynamics study S Cai, Q Li, W Li, L Zhang, X Liu Journal of Molecular Liquids 319, 114189, 2020 | 20 | 2020 |
| Molecular simulation study on the microscopic structure and mechanical property of defect-containing sI methane hydrate S Cai, Q Tang, S Tian, Y Lu, X Gao International Journal of Molecular Sciences 20 (9), 2305, 2019 | 20 | 2019 |
| The adsorption of hydrogen sulfide in calcite pores: A molecular simulation study S Cai, Q Li, C Liu, X Liu Journal of Molecular Liquids 299, 112253, 2020 | 19 | 2020 |
| Shale gas transport through the inorganic cylindrical and conical nanopores: A density gradient driven molecular dynamics L Zhang, C Liu, Q Li, S Wang, S Cai, E Huo International Journal of Heat and Mass Transfer 183, 122126, 2022 | 14 | 2022 |
| Molecular simulations of adsorption and energy storage of R1234yf, R1234ze (z), R134a, R32, and their mixtures in M-MOF-74 (M= Mg, Ni) nanoparticles S Cai, S Tian, Y Lu, G Wang, Y Pu, K Peng Scientific Reports 10 (1), 7265, 2020 | 14 | 2020 |
| Evaporation of Ar/Kr mixtures on platinum surface: a molecular dynamics study S Cai, Q Li, C Liu, L Zhang Physical Chemistry Chemical Physics 22 (28), 16157-16164, 2020 | 13 | 2020 |
| Pyrolysis mechanism study of n-heptane as an endothermic hydrocarbon fuel: A reactive molecular dynamic simulation and density functional theory calculation study E Huo, S Zhang, L Xin, S Wang, S Cai, L Zhang, M Bai Computational and Theoretical Chemistry 1211, 113696, 2022 | 12 | 2022 |
| Molecular characteristics of [BMIM][BF4] ionic liquids and water mixtures on the Pt surface S Cai, Q Li, M Li, C Liu Journal of Molecular Liquids 304, 112782, 2020 | 9 | 2020 |
| Pyrolysis mechanism of HFO-1234yf/iso-butane mixture: ReaxFF reactive molecular dynamic simulation study S Wang, E Huo, Z Guan, S Cai Computational and Theoretical Chemistry 1223, 114098, 2023 | 6 | 2023 |
| Molecular dynamics simulation of aggregation of monocrystal and polycrystal copper nanoparticles L Zhang, G Hong, S Cai International Journal of Modern Physics B 33 (16), 1950168, 2019 | 5 | 2019 |
| Adsorption and Diffusion Properties of Functionalized MOFs for CO2 Capture: A Combination of Molecular Dynamics Simulation and Density Functional Theory … S Cai, L Yu, E Huo, Y Ren, X Liu, Y Chen Langmuir 40 (13), 6869-6877, 2024 | 3 | 2024 |
| Supercritical water gasification of waste R410A refrigerant mixture for the resource utilization: ReaxFF reactive molecular dynamic simulation and density functional theory … M Bai, E Huo, W Zhang, L Kou, S Wang, S Cai, S Zhang International Journal of Refrigeration 158, 25-34, 2024 | 3 | 2024 |
| Water desalination through FAU zeolite studied by using molecular dynamics simulations J Song, L Liu, S Cai Journal of Molecular Liquids 380, 121683, 2023 | 2 | 2023 |
| Thermodynamic and mass transport properties of R1234ze (E) and R32 mixtures at the liquid-vapor interface: A molecular dynamics study S Cai, X Li, L Yu, L Zhang, E Huo Journal of Molecular Liquids 365, 120112, 2022 | 1 | 2022 |
| ReaxFF reactive molecular dynamic and density functional theory study on the co-pyrolysis mechanism of waste 1, 1, 1, 2-tetrafluoroethane and waste plastics to produce high … M Bai, E Huo, J Wang, Q Zhang, S Wang, S Cai, S Zhang Energy 299, 131505, 2024 | | 2024 |
| Molecular dynamics simulations of interfacial resistance of gases transport through MOF HKUST-1 J Song, L Liu, S Cai, L Shi Chemical Engineering Science 294, 120102, 2024 | | 2024 |
Qibin LiChongqing University在 cqu.edu.cn 的电子邮件经过验证
