Location of Artinite (Mg2CO3(OH)2·3H2O) within the MgO–CO2–H2O system using ab initio thermodynamics

Author:

Tse Joshua S.1ORCID,Grant James2,Skelton Jonathan M.3ORCID,Gillie Lisa J.1,Zhu Runliang4ORCID,Pesce Giovanni L.5,Ball Richard J.6ORCID,Parker Stephen C.2ORCID,Molinari Marco1ORCID

Affiliation:

1. Department of Chemistry, University of Huddersfield, Queensgate, Huddersfield, HD1 3DH, UK

2. Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, UK

3. Department of Chemistry, University of Manchester, Oxford Road, Manchester, M13 9PL, UK

4. CAS Key Laboratory of Mineralogy and Metallogeny, and Guangdong Provincial Key Laboratory of Mineral Physics and Materials, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640, P. R. China

5. Department of Mechanical and Construction Engineering, Northumbria University, Newcastle upon Tyne, NE1 8ST, UK

6. Department of Architecture and Civil Engineering, University of Bath, Bath, BA2 7AY, UK

Abstract

An ab initio thermodynamic framework to generate first-principles phase stability plots of hydrated and carbonated magnesium-rich phases, including Artinite.

Funder

UK Research and Innovation

Royal Society

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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