ms2: Ein Werkzeug zur Berechnung thermodynamischer Stoffeigenschaften mittels molekularer Simulation

DEUBLEIN, S., ECKL, B., STOLL, J., LISHCHUK, Sergey, GUEVARA-CARRION, G., GLASS, C. W., MERKER, T., BERNREUTHER, M., HASSE, H. and VRABEC, J. (2011). ms2: Ein Werkzeug zur Berechnung thermodynamischer Stoffeigenschaften mittels molekularer Simulation. Chemie Ingenieur Technik - CIT, 84 (1-2), 114-120.

Full text not available from this repository.
Official URL: http://onlinelibrary.wiley.com/doi/10.1002/cite.20...
Link to published version:: 10.1002/cite.201100079

Abstract

This work presents the molecular simulation program ms2 that is designed for the calculation of thermodynamic properties of fluids in equilibrium. With ms2, thermodynamic properties can be calculated for pure fluids and mixtures that consist of small electro-neutral molecules. Both molecular dynamics and Monte Carlo simulations can be performed. The calculation of thermal and caloric data for homogeneous states as well as vapor-liquid equilibria and transport properties is supported. ms2 is designed to achieve short response times on different hardware and straightforward handling. Feature tools facilitate the interpretation of input and output files.

Item Type: Article
Research Institute, Centre or Group: Materials and Engineering Research Institute > Polymers Nanocomposites and Modelling Research Centre > Materials and Fluid Flow Modelling Group
Identification Number: 10.1002/cite.201100079
Depositing User: Sergey Lishchuk
Date Deposited: 10 Nov 2016 16:15
Last Modified: 10 Nov 2016 16:19
URI: http://shura.shu.ac.uk/id/eprint/13502

Actions (login required)

View Item View Item

Downloads

Downloads per month over past year

View more statistics