An effective-colloid pair potential for Lennard-Jones colloid–polymer mixtures
نویسندگان
چکیده
منابع مشابه
Virial coefficients of Lennard-Jones mixtures.
We report results of calculations of the second through sixth virial coefficients for four prototype Lennard-Jones (LJ) mixtures that have been the subject of previous studies in the literature. Values are reported for temperatures ranging from T=0.6 to T=10.0, where here the temperature is given units of the LJ energy parameter of one of the components. Thermodynamic stability of the mixtures ...
متن کاملAn Infeasible Point Method for Minimizing the Lennard-Jones Potential
Minimizing the Lennard-Jones potential, the most-studied model problem for molecular conformation, is an unconstrained global optimization problem with a large number of local minima. In this paper, the problem is reformulated as an equality constrained nonlinear programming problem with only linear constraints. This formulation allows the solution to approached through infeasible configuration...
متن کاملLennard-Jones Potential inside a Spherical Cavity
The Lennard-Jones potential for an atom inside a conducting spherical cavity is derived. The interest is in possible anomalous effects near the focal point of a cavity viewed as a spherical mirror. We find a smooth dependence of the potential on the distance of the atom from the surface of the cavity. 1 Plane Mirror and the C3 coefficient Let us consider first a plane mirror, assumed to lie in ...
متن کاملMixing effects in glass-forming Lennard-Jones mixtures.
Mixing effects have been investigated from molecular dynamics simulations at constant number of particles, volume, and temperature on the Kob-Andersen glass-forming Lennard-Jones atomic mixture A(x)B(1-x) for 0 < or = x < or = 1 compositions. Upon cooling, crystallization is observed for x < or = 0.5 and x > or = 0.9 compositions. The crystalline states can be described by a quite complex coexi...
متن کاملUnderstanding fragility in supercooled Lennard-Jones mixtures. II. Potential energy surface.
The connection between isobaric fragility and the properties of high-order stationary points of the potential energy surface in different supercooled Lennard-Jones mixtures was investigated. The increase of effective activation energies upon supercooling appears to be driven by the increase of average potential energy barriers measured by the energy dependence of the fraction of unstable modes....
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2003
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1533787