DIFFUSION IN RESTRICTED VOLUME

被引:16
作者
BRODKA, A
机构
[1] Institute of Physics, University of Silesia, Katowice, 40-007
关键词
D O I
10.1080/00268979400100764
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
The usually assumed anisotropy of the diffusion coefficient for molecules in a bounded region is questioned. The mean-square displacements of molecules are calculated from results of a molecular dynamics simulation of a C60/C6H12 mixture in a cylindrical pore. On the basis of the diffusion equation it is shown that the mean-square displacements parallel and perpendicular to the pore axis are reproduced using one diffusion coefficient.
引用
收藏
页码:1075 / 1078
页数:4
相关论文
共 12 条
[1]   SOME NOTES ON EINSTEIN RELATIONSHIPS [J].
ALLEN, MP ;
MASTERS, AJ .
MOLECULAR PHYSICS, 1993, 79 (02) :435-443
[2]  
[Anonymous], COMPUTER SIMULATION
[3]   MOLECULAR-DYNAMICS SIMULATIONS OF INTERFACES BETWEEN WATER AND CRYSTALLINE UREA [J].
BOEK, ES ;
BRIELS, WJ ;
VANEERDEN, J ;
FEIL, D .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (09) :7010-7018
[4]   MOLECULAR-DYNAMICS SIMULATION OF LIQUID SOLID-PHASE TRANSITION OF CYCLOHEXANE .1. [J].
BRODKA, A ;
ZERDA, TW .
JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (08) :5669-5675
[5]   MOLECULAR-DYNAMICS OF SF6 IN POROUS SILICA [J].
BRODKA, A ;
ZERDA, TW .
JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (05) :3710-3718
[6]  
HANSEN JP, 1986, THEORY SIMPLE LIQUID, pCH7
[7]   BOND LENGTHS IN FREE MOLECULES OF BUCKMINSTERFULLERENE, C60, FROM GAS-PHASE ELECTRON-DIFFRACTION [J].
HEDBERG, K ;
HEDBERG, L ;
BETHUNE, DS ;
BROWN, CA ;
DORN, HC ;
JOHNSON, RD ;
DEVRIES, M .
SCIENCE, 1991, 254 (5030) :410-412
[8]   OPTIMIZED INTERMOLECULAR POTENTIAL FUNCTIONS FOR LIQUID HYDROCARBONS [J].
JORGENSEN, WL ;
MADURA, JD ;
SWENSON, CJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (22) :6638-6646
[9]   A MOLECULAR-DYNAMICS STUDY OF FREEZING IN A CONFINED GEOMETRY [J].
MA, WJ ;
BANAVAR, JR ;
KOPLIK, J .
JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (01) :485-493
[10]   MOLECULAR-DYNAMICS OF NARROW, LIQUID-FILLED PORES [J].
MAGDA, JJ ;
TIRRELL, M ;
DAVIS, HT .
JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (04) :1888-1901