Density-functional studies of amphiphilic binary mixtures. II. Gas-liquid nucleation

被引:11
作者
Napari, I
Laaksonen, A
Strey, R
机构
[1] Univ Helsinki, Dept Phys, FIN-00014 Helsinki, Finland
[2] Univ Kuopio, Dept Appl Phys, FIN-70211 Kuopio, Finland
[3] Univ Cologne, Inst Phys Chem, D-50939 Cologne, Germany
关键词
D O I
10.1063/1.1288270
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
Density-functional theory is applied to study gas-liquid nucleation in binary mixtures consisting of Lennard-Jones atoms with hard-spherical cores (monomers) and bonded Lennard-Jones atoms of two (dimers) or three (trimers) hard spheres. Mixtures with and without amphiphiles are compared. In amphiphilic systems mutual enhancement of nucleation is observed regardless of reduced total interaction between the molecules. Monomer-dimer and monomer-trimer mixtures are compared. Increased chain length is shown to result in stronger enhancement of nucleation. Layered structures are shown to form in large critical clusters at certain vapor activities. The nucleation behavior of the amphiphilic systems resembles qualitatively the experimental observations of water-n-alcohol mixtures. (C) 2000 American Institute of Physics. [S0021-9606(00)51134-9].
引用
收藏
页码:4480 / 4487
页数:8
相关论文
共 14 条
[1]  
Gompper G., 1994, PHASE TRANSITIONS CR, V16
[2]   Density-functional studies of amphiphilic binary mixtures. I. Phase behavior [J].
Napari, I ;
Laaksonen, A ;
Strey, R .
JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (10) :4476-4479
[3]   A density functional study of liquid-liquid interfaces in partially miscible systems [J].
Napari, I ;
Laaksonen, A ;
Talanquer, V ;
Oxtoby, DW .
JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (12) :5906-5912
[4]   Gas-liquid nucleation in partially miscible systems: Free-energy surfaces and structures of nuclei from density functional calculations [J].
Napari, I ;
Laaksonen, A .
JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (12) :5485-5490
[5]   Surfactant effects and an order-disorder transition in binary gas-liquid nucleation [J].
Napari, I ;
Laaksonen, A .
PHYSICAL REVIEW LETTERS, 2000, 84 (10) :2184-2187
[6]   DOMAIN SHAPES AND PATTERNS - THE PHENOMENOLOGY OF MODULATED PHASES [J].
SEUL, M ;
ANDELMAN, D .
SCIENCE, 1995, 267 (5197) :476-483
[7]   MEASUREMENT OF THE MOLECULAR CONTENT OF BINARY NUCLEI .3. USE OF THE NUCLEATION RATE SURFACES FOR THE WATER-N-ALCOHOL SERIES [J].
STREY, R ;
VIISANEN, Y ;
WAGNER, PE .
JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (10) :4333-4345
[8]   Critical clusters in binary mixtures: A density functional approach [J].
Talanquer, V ;
Oxtoby, DW .
JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (05) :1993-1999
[9]   Nucleation in the presence of an amphiphile: A density functional approach [J].
Talanquer, V ;
Oxtoby, DW .
JOURNAL OF CHEMICAL PHYSICS, 1997, 106 (09) :3673-3680
[10]  
Tanford C, 1980, HYDROPHOBIC EFFECT F