Molecular dynamics simulation of solar salt (NaNO3-KNO3) mixtures
نویسندگان
چکیده
منابع مشابه
Deliquescence of NaCl–NaNO3, KNO3–NaNO3, and NaCl–KNO3 salt mixtures from 90 to 120°C
We conducted reversed deliquescence experiments in saturated NaCl–NaNO3 – H2O, KNO3 – NaNO3 – H2O, and NaCl–KNO3 – H2O systems from 90 to 120 °C as a function of relative humidity and solution composition. NaCl, NaNO3 , and KNO3 represent members of dust salt assemblages that are likely to deliquesce and form concentrated brines on high-level radioactive waste package surfaces in a repository e...
متن کاملInvestigation of Melting by Molecular Dynamics Simulation
The melting of a 64 ion microcrystal of KCI was studied by means of a molecular dynamics computer simulation. We used a central pair interaction with an inverse power law repulsion. The thermodynamics, kinetic and structural properties such as melting temperature, latent heat, mean square displacement, diffusion constant, radial distribution function and bond angle distribution are calculated. ...
متن کاملPlanar Molecular Dynamics Simulation of Au Clusters in Pushing Process
Based on the fact the manipulation of fine nanoclusters calls for more precise modeling, the aim of this paper is to conduct an atomistic investigation for interaction analysis of particle-substrate system for pushing and positioning purposes. In the present research, 2D molecular dynamics simulations have been used to investigate such behaviors. Performing the planar simulations can provide a ...
متن کاملMolecular Dynamics Simulation of the Melting Process in Au15Ag40 Nanoalloys
In this study the operations of melting of Au15Ag40 nanoalloy have been studied using the molecular dynamic simulations through the Gupta multiparticle potential and the nonergodicity of simulations is eliminated by the multiple histogram method. The melting characteristics are determined by the analysis of variations in the potential energy. The calculations indicate that the melting of Au15Ag...
متن کاملInterdiffusion in Critical Binary Mixtures by Molecular Dynamics Simulation
A simulation study of the static and dynamic critical behavior of a symmetric binary Lennard-Jones mixture is briefly reviewed. Using a combination of semi-grand-canonical Monte Carlo (SGMC) and molecular dynamics (MD) methods near the critical temperature of liquid-liquid unmixing, the correlation length and “susceptibility” related to the critical concentration fluctuations are estimated, as ...
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: Solar Energy Materials and Solar Cells
سال: 2019
ISSN: 0927-0248
DOI: 10.1016/j.solmat.2019.04.019