Structure of molten MCl(3) systems from a polarizable ion simulation model
Computer simulations of a range of molten salts of stoichiometry MX3 using a polarizable, formal charge ionic interaction model are described. The systems studied - LaCl3, TbCl3, and YCl3 -span a range of cation sizes and the interaction model is a "generic" one, in the sense that the cati...
Main Authors: | Hutchinson, F, Rowley, A, Walters, M, Wilson, M, Madden, P, Wasse, J, Salmon, P |
---|---|
格式: | Journal article |
語言: | English |
出版: |
1999
|
相似書籍
-
A unified description of MCl3 systems with a polarizable ion simulation model
由: Hutchinson, F, et al.
出版: (2001) -
Atomistic molecular dynamics simulation of the catalytically-active nano- and bulk ALPHA-ALF3 phases using the polarizable ion model (PIM).
由: Chaudhuri, S, et al.
出版: (2003) -
Short- and intermediate-range order in molten metal tribromides: a computer simulation study
由: Hutchinson, F, et al.
出版: (2000) -
Ions in solutions: Determining their polarizabilities from first-principles.
由: Molina, J, et al.
出版: (2011) -
Polarizabilities of individual molecules and ions in liquids from first principles
由: Salanne, M, et al.
出版: (2008)