Molecular dynamics simulations of the spatially ordered phase in strongly dipolar liquids

被引:4
|
作者
Kachel, A [1 ]
Gburski, Z [1 ]
机构
[1] SILESIAN UNIV, DEPT PHYS, PL-40007 KATOWICE, POLAND
关键词
chain formation; MD simulations; ferroelectric liquid crystal;
D O I
10.1016/S0022-2860(96)09513-0
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Using molecular dynamics (MD) simulations we investigate the process of formation of the spatially ordered phase in a system of strongly interacting dipolar molecules. The molecular model consists of ellipsoidal or rod-like molecules interacting via the site-site Lennard-Jones and the dipole-dipole potential. The calculations were performed for a range of densities along a liquid state isotherm. (C) 1997 Elsevier Science B.V.
引用
收藏
页码:513 / 516
页数:4
相关论文
共 50 条
  • [41] Extraction of Tryptophan with Ionic Liquids Studied with Molecular Dynamics Simulations
    Seduraman, Abirami
    Wu, Ping
    Klaehn, Marco
    JOURNAL OF PHYSICAL CHEMISTRY B, 2012, 116 (01): : 296 - 304
  • [42] Molecular dynamics simulations of mixtures of protic and aprotic ionic liquids
    Docampo-Alvarez, Borja
    Gomez-Gonzalez, Victor
    Mendez-Morales, Trinidad
    Rodriguez, Julio R.
    Lopez-Lago, Elena
    Cabeza, Oscar
    Gallego, Luis J.
    Varela, Luis M.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 18 (34) : 23932 - 23943
  • [43] MOLECULAR-DYNAMICS SIMULATIONS OF CONSEQUENCES OF TIP INTERACTIONS WITH LIQUIDS
    LANDMAN, U
    LUEDTKE, WD
    XIA, TK
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1994, 207 : 104 - COLL
  • [44] Dielectric susceptibility of dipolar molecular liquids by ab initio molecular dynamics: application to liquid HCl
    Dubois, V
    Umari, P
    Pasquarello, A
    CHEMICAL PHYSICS LETTERS, 2004, 390 (1-3) : 193 - 198
  • [45] On combining molecular dynamics and stochastic dynamics simulations to compute reaction rates in liquids
    Guo, Y
    Thompson, DL
    JOURNAL OF CHEMICAL PHYSICS, 2004, 120 (02): : 898 - 902
  • [46] Thermodynamic consistency in dissipative particle dynamics simulations of strongly nonideal liquids and liquid mixtures
    Trofimov, SY
    Nies, ELF
    Michels, MAJ
    JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (20): : 9383 - 9394
  • [47] Strongly charged, flexible polyelectrolytes in poor solvents: Molecular dynamics simulations
    Micka, U
    Holm, C
    Kremer, K
    LANGMUIR, 1999, 15 (12) : 4033 - 4044
  • [48] Molecular Dynamics Simulations of Quinoline in the Liquid Phase
    Soetens, Jean-Christophe
    Ahmad, Norariza
    Adnan, Rohana
    Millot, Claude
    JOURNAL OF PHYSICAL CHEMISTRY B, 2012, 116 (19): : 5719 - 5728
  • [49] Nonequilibrium molecular dynamics simulations of a simple dipolar fluid under shear flow
    McWhirter, JL
    Patey, GN
    JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (06): : 2747 - 2761
  • [50] Molecular dynamics simulations of a silver atom in water: Evidence for a dipolar excitonic state
    Spezia, R
    Nicolas, C
    Boutin, A
    Vuilleumier, R
    PHYSICAL REVIEW LETTERS, 2003, 91 (20)