Density functional theory for sphere-needle mixtures: toward finite rod thickness.
نویسندگان
چکیده
For mixtures of hard spheres and hard spherocylinders of large aspect ratio a recently proposed density functional theory is extended to incorporate effects due to nonvanishing rod thickness. This is accomplished by introducing several new geometric weight functions into the framework. We demonstrate explicitly how these weight functions recover the sphere-rod Mayer bond.
منابع مشابه
Solvation Force in Hard Ellipsoid Molecular Liquids with Rod-Sphere and Rod- Surface Interactions
In previous work, one of us calculated the Solvation force of hard ellipsoid fluid with hard Gaussian overlap potential using hard needle wall interaction and non-linear equation proposed by Grimson- Rickyazen. In present work, using density functional theory and extended restricted orientation model, the solvation force of hard ellipsoid fluid in presence of more realistic rod- sphere and rod-...
متن کاملDensity functional theory for colloidal mixtures of hard platelets, rods, and spheres.
A geometry-based density-functional theory is presented for mixtures of hard spheres, hard needles, and hard platelets; both the needles and platelets are taken to be of vanishing thickness. Geometrical weight functions that are characteristic for each species are given, and it is shown how convolutions of pairs of weight functions recover each Mayer bond of the ternary mixture and hence ensure...
متن کاملDensity functional theory for colloidal rod-sphere mixtures.
We present a density functional theory for a model colloidal mixture of hard spheres and infinitely thin hard rods. For these freely rotating particles, we use a fundamental measures approach to obtain a functional that features the correct dimensional crossover and the exact low density limit. For isotropic bulk fluid mixtures, the free energy, and hence the demixing phase diagram, are identic...
متن کاملFundamental measure theory for hard-sphere mixtures revisited: the White Bear version
We develop a density functional for hard-sphere mixtures which keeps the structure of Rosenfeld’s fundamental measure theory (FMT) whilst inputting the Mansoori–Carnahan–Starling–Leland bulk equation of state. Density profiles for the pure hard-sphere fluid and for some binary mixtures adsorbed at a planar hard wall obtained from the present functional exhibit some improvement over those from t...
متن کاملStructures and correlation functions of multicomponent and polydisperse hard-sphere mixtures from a density functional theory.
The structures of nonuniform binary hard-sphere mixtures and the correlation functions of uniform ternary hard-sphere mixtures were studied using a modified fundamental-measure theory based on the weight functions of Rosenfeld [Rosenfeld, Phys. Rev. Lett. 63, 980 (1989)] and Boublik-Mansoori-Carnahan-Starling-Leland equation of state [Boublik, J. Chem. Phys. 53, 471 (1970); Mansoori et al., J. ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Physical review. E, Statistical, nonlinear, and soft matter physics
دوره 70 2 Pt 1 شماره
صفحات -
تاریخ انتشار 2004