Molekulardynamische Simulation von Alkalinitratschmelzen

Subject of this thesis is molecular dynamics simulation of molten alkali nitrate. The well-known Born-Mayer-Huggins interaction potentials are improved by calculating the pressure of the melt and adjusting some Van-der-Waals-type attractive addition. These modified potentials are then used to simulate both the pure alkali nitrate melts and the binary mixtures of sodium nitrate and one of the other alkali nitrate melts (lithium, potassium, rubidium). Main concern is the examination of the dynamics, especially the dependence of the self-diffusion coefficients on mass and radius of the ions.

Grantor dc:publisher

Publikationsserver der RWTH Aachen University

Year dc:date

2000

Author dc:creator

• Vöhringer, Gerrit

Contributors dc:contributor

• Richter, Joachim
• Zeidler, M. D.

• info:eu-repo/classification/ddc/540
• Chemie
• Alkalinitrate
• Salzschmelze
• Binäres System
• Molekulardynamik

Statement dc:rights

• info:eu-repo/semantics/openAccess

Language dc:language

ger

Identifier

https://publications.rwth-aachen.de/search?p=id:%22RWTH-CONV-119846%22

OAI identifier oai:identifier

oai:publications.rwth-aachen.de:57857