Validation of the COSMO-RS electrostatics by Monte-Carlo simulations
نویسندگان
چکیده
منابع مشابه
Electrostatics on the sphere with applications to Monte Carlo simulations of two dimensional polar fluids.
We present two methods for solving the electrostatics of point charges and multipoles on the surface of a sphere, i.e., in the space S2, with applications to numerical simulations of two-dimensional (2D) polar fluids. In the first approach, point charges are associated with uniform neutralizing backgrounds to form neutral pseudo-charges, while in the second, one instead considers bi-charges, i....
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ژورنال
عنوان ژورنال: Fluid Phase Equilibria
سال: 2007
ISSN: 0378-3812
DOI: 10.1016/j.fluid.2007.06.027