TY - JOUR
T1 - Diffusion of hard sphere fluids in disordered media
T2 - A molecular dynamics simulation study
AU - Chang, Rakwoo
AU - Jagannathan, Kamakshi
AU - Yethiraj, Arun
PY - 2004/5
Y1 - 2004/5
N2 - Discontinuous molecular dynamics simulations of hard sphere fluids were studied in disordered matrices composed of hard sphere. The effect of fluid and matrix density, matrix structure and particle size on the mean-square displacement, long-time self-diffusion and single-chain structure factor of particle trajectories were presented and analyzed. The matrix volume fraction was found to have a stronger effect on fluid diffusion than the fluid itself. The results show that replacing fluid particles with an equal number of matrix particles with the same size decreases the diffusion of fluids.
AB - Discontinuous molecular dynamics simulations of hard sphere fluids were studied in disordered matrices composed of hard sphere. The effect of fluid and matrix density, matrix structure and particle size on the mean-square displacement, long-time self-diffusion and single-chain structure factor of particle trajectories were presented and analyzed. The matrix volume fraction was found to have a stronger effect on fluid diffusion than the fluid itself. The results show that replacing fluid particles with an equal number of matrix particles with the same size decreases the diffusion of fluids.
UR - http://www.scopus.com/inward/record.url?scp=42749103490&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:42749103490
SN - 1539-3755
VL - 69
SP - 051101-1-051101-9
JO - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
JF - Physical Review E - Statistical, Nonlinear, and Soft Matter Physics
IS - 5 2
M1 - 051101
ER -