Program

O.5 -- Oral, NCTP-42

Date: Monday, 31 July 2017

Time: 14h00 - 14h20

Grand-canonical Monte-Carlo simulation of solutions of salt mixtures: theory and implementation

Duc Viet Nguyen, Toan T Nguyen

Faculty of Physics, VNU University of Science

In this work, we presented our investigation of the effect of ion sizes on the fugacities of salts and osmotic pressure of solution using the Grand-canonical Monte-Carlo (GCMC) simulation method. The GCMC method was presented in the preprint: arxiv.org/1705.08840v1. We study solution of 1:1, 2:1 and 2:2 salts or their mixtures at different concentrations using the primitive ion model. The osmotic pressures of the electrolyte solutions are calculated and shown to depend linearly on the salt concentrations within the concentration range simulated. Our work can explain some quantitative differences observed in experiments of the MgCl salt mixture and MgSO4 salt mixture.

Presenter: Nguyen The Toan