Application of computer simulation methods to the study of metal sulphide minerals

K. Wright, D. J. Vaughan

Research output: Contribution to journalArticle

Abstract

The crystal chemistry of metal sulphide minerals is an important area of study with applications to the environment and to the extraction of metal ores. In this paper, we present an overview of computational modelling studies as applied to the bulk and surface properties of metal sulphides. The emphasis is on applications rather than techniques and in order to illustrate work in this field, we focus on the ZnS polymorphs, pyrite (FeS2) and phases with the galena (PbS) structure.

Original languageEnglish
Pages (from-to)89-103
Number of pages15
JournalMolecular Simulation
Volume21
Issue number2-3
DOIs
Publication statusPublished - 1 Jan 1998
Externally publishedYes

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