Equilibration of fluid-phase coexistence in polydisperse particle systems with short- and moderate-range depletion attractions

作者: B. Ahlström , J. Bergenholtz

DOI: 10.1016/J.FLUID.2011.02.023

关键词:

摘要: Abstract Gibbs ensemble Monte Carlo (GEMC) simulations have been done on polydisperse systems of particles interacting via the Asakura–Oosawa depletion potential. On restricting range attraction aggregate forming long-lived, unequilibrated structures and it becomes increasingly difficult to sample phase space. It is found that by simply equilibrating sequentially starting at longer ranges attraction, equilibrium fluid–fluid coexistence can be determined down polymer-colloid size ratios approaching 10%. For such short interaction obtain reliable estimates chemical potentials due occasional particle insertions resulting in very low energies. The results show full not reached a ratio 10% spite lengthy persistent dense-fluid dominated belonging larger fraction. Free-volume theory with colloid component, modeled as three-component mixture, used for qualitative comparison some computer simulations.

参考文章(63)
Sho Asakura, Fumio Oosawa, On Interaction between Two Bodies Immersed in a Solution of Macromolecules The Journal of Chemical Physics. ,vol. 22, pp. 1255- 1256 ,(1954) , 10.1063/1.1740347
J. D. Gunton, D. L. Pagan, Phase behavior of short-range square-well model. Journal of Chemical Physics. ,vol. 122, pp. 184515- 184515 ,(2005) , 10.1063/1.1890925
A.P Gast, C.K Hall, W.B Russel, Polymer-induced phase separations in nonaqueous colloidal suspensions Journal of Colloid and Interface Science. ,vol. 96, pp. 251- 267 ,(1983) , 10.1016/0021-9797(83)90027-9
C. R. Berland, G. M. Thurston, M. Kondo, M. L. Broide, J. Pande, O. Ogun, G. B. Benedek, Solid-liquid phase boundaries of lens protein solutions. Proceedings of the National Academy of Sciences of the United States of America. ,vol. 89, pp. 1214- 1218 ,(1992) , 10.1073/PNAS.89.4.1214
Vanessa Ortiz, Johnny R. Maury-Evertsz, Gustavo E. López, Parallel tempering-cavity-bias algorithm in the Gibbs ensemble Chemical Physics Letters. ,vol. 368, pp. 452- 457 ,(2003) , 10.1016/S0009-2614(02)01897-3
Peter G. Bolhuis, David A. Kofke, Monte Carlo study of freezing of polydisperse hard spheres. Physical Review E. ,vol. 54, pp. 634- 643 ,(1996) , 10.1103/PHYSREVE.54.634
F. Renth, W. C. K. Poon, R. M. L. Evans, Phase transition kinetics in colloid-polymer mixtures at triple coexistence: kinetic maps from free-energy landscapes. Physical Review E. ,vol. 64, pp. 031402- 031402 ,(2001) , 10.1103/PHYSREVE.64.031402
Tomáš Boublík, Hard‐Sphere Equation of State The Journal of Chemical Physics. ,vol. 53, pp. 471- 472 ,(1970) , 10.1063/1.1673824
George Stell, Sticky spheres and related systems Journal of Statistical Physics. ,vol. 63, pp. 1203- 1221 ,(1991) , 10.1007/BF01030007