Solvation in supercritical water: A molecular dynamics computer simulation study.

被引:0
|
作者
Bursulaya, BD [1 ]
Kim, HJ [1 ]
机构
[1] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
103-PHYS
引用
收藏
页码:U173 / U174
页数:2
相关论文
共 50 条
  • [21] A Molecular Dynamics simulation study on nitrobenzene and •OH radical in supercritical water
    Huang, Yanping
    Dong, Xiuqin
    Dong, Yanping
    Yu, Yingzhe
    JOURNAL OF MOLECULAR LIQUIDS, 2015, 206 : 278 - 284
  • [22] A MOLECULAR DYNAMICS SIMULATION STUDY OF CONFORMATIONAL CHANGES AND SOLVATION OF Aβ PEPTIDE IN TRIFLUOROETHANOL AND WATER
    Jalili, S.
    Akhavan, M.
    JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2009, 8 (02): : 215 - 231
  • [23] Molecular dynamics simulation of solvation dynamics in methanol-water mixtures
    Skaf, MS
    Ladanyi, BM
    JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (46): : 18258 - 18268
  • [24] The molecular dynamics simulation of hydrogen bonding in supercritical water
    Yang, Xin
    Cheng, Ke
    Jia, Guo-zhu
    PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, 2019, 516 : 365 - 375
  • [25] All atom molecular dynamics simulation study of polyethylene polymer in supercritical water, supercritical ethanol and supercritical methanol
    Bozorgmehr, Mohammad Reza
    Morsali, Ali
    Beyramabadi, S. Ali
    Moghaddam, Farhad Khamchin
    Pashirepour, Jamal
    Shakeri, Mitra
    JOURNAL OF SUPERCRITICAL FLUIDS, 2014, 86 : 124 - 128
  • [26] Solvation of xyloglucan in water/alcohol systems by molecular dynamics simulation
    Umemura, Myco
    Yuguchi, Yoshiaki
    CELLULOSE, 2009, 16 (03) : 361 - 371
  • [27] Solvation of xyloglucan in water/alcohol systems by molecular dynamics simulation
    Myco Umemura
    Yoshiaki Yuguchi
    Cellulose, 2009, 16 : 361 - 371
  • [28] Reorientational dynamics of water in aqueous ionic solutions at supercritical conditions:: A computer simulation study
    Guàrdia, E
    Laria, D
    Martí, J
    JOURNAL OF MOLECULAR LIQUIDS, 2006, 125 (2-3) : 107 - 114
  • [29] Solvation dynamics in aqueous reverse micelles: A computer simulation study
    Faeder, J
    Ladanyi, BM
    JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (45): : 11148 - 11158
  • [30] MOLECULAR SIMULATION STUDY OF SOLVATION STRUCTURE IN SUPERCRITICAL AQUEOUS-SOLUTIONS
    CUMMINGS, PT
    CHIALVO, AA
    COCHRAN, HD
    CHEMICAL ENGINEERING SCIENCE, 1994, 49 (17) : 2735 - 2748