Computer simulations on the gas-liquid phase diagram of Stockmayer fluids
文献类型：期刊论文
| 作者 | Lu, ZY; Ouyang, WZ; Sun, ZY; Li, ZS; An, LJ |
| 刊名 | CHINESE SCIENCE BULLETIN
 |
| 出版日期 | 2005-08-01 |
| 卷号 | 50期号:15页码:1595-1597 |
| 关键词 | Molecular Dynamics Simulation Stockmayer Fluid Phase Diagram |
| ISSN号 | 1001-6538 |
| DOI | 10.1360/9822004-368 |
| 英文摘要 | Particle exchange molecular dynamics (PEMD) simulation technique is proposed to study the gas-liquid phase diagram of fluids. In the simulations, the fluid particles can be transferred between the two coupled boxes, which possess constant total number of particles and volume. The particle transfer is controlled by the difference of chemical potential in the respective simulation box. After equilibrium the two boxes have the same pressure, temperature and chemical potential. The method is further used to study the gas-liquid phase diagram of Stockmayer fluid. Increasing the dipole strength will enhance the critical temperature. The predicted critical points are in agreement with those from Gibbs ensemble Monte Carlo simulations, while the small systematic difference is attributed to the system size effects and the thermostat methods. |
| 语种 | 英语 |
| WOS记录号 | WOS:000232609500011 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/56761]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Sun, ZY |
| 作者单位 | 1.Jilin Univ, Inst Theoret Chem, State Key Lab Computat & Theoret Chem, Changchun 130021, Peoples R China 2.Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Polymer Phys & Chem, Changchun 130022, Peoples R China |
| 推荐引用方式 GB/T 7714 | Lu, ZY,Ouyang, WZ,Sun, ZY,et al. Computer simulations on the gas-liquid phase diagram of Stockmayer fluids[J]. CHINESE SCIENCE BULLETIN,2005,50(15):1595-1597. |
| APA | Lu, ZY,Ouyang, WZ,Sun, ZY,Li, ZS,&An, LJ.(2005).Computer simulations on the gas-liquid phase diagram of Stockmayer fluids.CHINESE SCIENCE BULLETIN,50(15),1595-1597. |
| MLA | Lu, ZY,et al."Computer simulations on the gas-liquid phase diagram of Stockmayer fluids".CHINESE SCIENCE BULLETIN 50.15(2005):1595-1597. |
入库方式： OAI收割
来源：化学研究所
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