Molecular Dynamics Evaluation of Dielectric Constant Mixing Rules for H2O–CO2 at Geologic Conditions
نویسندگان
چکیده
منابع مشابه
Molecular dynamics at constant temperature and pressure.
approved: enri J.F. Jansen Molecular dynamics is a technique in which the trajectories of a group of particles are calculated as a function of time by integrating the equations of motion. In this thesis we study the use of molecular dynamics for atoms in a crystal. A model is introduced which describes interactions of a physical system with an external heat reservoir in molecular dynamics simul...
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ژورنال
عنوان ژورنال: Journal of Solution Chemistry
سال: 2015
ISSN: 0095-9782,1572-8927
DOI: 10.1007/s10953-015-0401-6