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

K. Wright; D. J. Vaughan

doi:10.1080/08927029808022053

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

K. Wright
, D. J. Vaughan

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	89-103
Number of pages	15
Journal	Molecular Simulation
Volume	21
Issue number	2-3
DOIs	https://doi.org/10.1080/08927029808022053
Publication status	Published - 1 Jan 1998
Externally published	Yes

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10.1080/08927029808022053

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AB - 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.

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KW - Galena

KW - Metal sulphides

KW - Pyrite

KW - Sphalerite

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

Abstract

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