Shape factors in equations of state. Part II. Repulsion phenomena in multicomponent chain fluids.
An equation of state for the multicomponent fluid phase of nonattracting rigid particles of arbitrary shape is presented. The equation is a generalization of a previously presented equation of state for pure fluids of rigid particles; the approach describes the volumetric properties of a pure fluid in terms of a shape factor, zeta, which can be back calculated by scaling the volumetric properties of pure fluids to that of a hard sphere. The performance of the proposed equation is tested against mixtures of chain fluids immersed in a "monomeric" solvent of hard spheres of equal and different sizes. Extensive new Monte Carlo simulation data are presented for 19 binary mixtures of hard homonuclear tangent freely-jointed hard sphere chains (pearl-necklace) of various lengths (three to five segments), with spheres of several size ratios and at various compositions. The performance of the proposed equation is compared to the hard-sphere SAFT approach and found to be of comparable accuracy. The equation proposed is further tested for mixtures of spheres with spherocylinders. In all cases, the equation proved to be accurate and simple to use.
Carnahan
Norman F
NF
Carnahan Corporation, Houston, PO Box 42281, Texas 77242-2281, USA. carnahan@ghg.net
Müller
Erich A
EA
D003102:Colloids / Q000737:chemistry*; D045424:Complex Mixtures / Q000737:chemistry*; D003198:Computer Simulation; D044085:Microfluidics / Q000379:methods*; D008956:Models, Chemical; D008958:Models, Molecular; D009038:Motion; D043942:Nanotubes / Q000737:chemistry* / Q000648:ultrastructure; D010316:Particle Size; D044367:Phase Transition; D012996:Solutions
D003102:Colloids; D045424:Complex Mixtures; D012996:Solutions