The Structure of CaSO4 Nanorods: The Precursor of Gypsum
MetadataShow full item record
Funding and Sponsorship
This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry C, copyright © American Chemical Society, after peer review and technical editing by the publisher. To access the final edited and published work see http://doi.org/10.1021/acs.jpcc.9b04268
© 2019 American Chemical Society. Understanding the gypsum (CaSO4·2H2O) formation pathway from aqueous solution has been the subject of intensive research in the past years. This interest stems from the fact that gypsum appears to fall into a broader category of crystalline materials whose formation does not follow classical nucleation and growth theories. The pathways involve transitory precursor cluster species, yet the actual structural properties of such clusters are not very well understood. Here, we show how in situ high-energy X-ray diffraction experiments and molecular dynamics (MD) simulations can be combined to derive the structure of small CaSO4 clusters, which are precursors of crystalline gypsum. We fitted several plausible structures to the derived pair distribution functions and explored their dynamic properties using unbiased MD simulations based on both rigid ion and polarizable force fields. Determination of the structure and (meta)stability of the primary species is important from both a fundamental and applied perspective; for example, this will allow for an improved design of additives for greater control of the nucleation pathway.
Showing items related by title, author, creator and subject.
Gypsum scale formation control in pipe flow systems: A systematic study on the effects of process parameters and additivesAng, Ming; Muryanto, S.; Hoang, Tung (2011)Gypsum is widely known as one of the major components of scale in many industrial processes and domestic applications. The scale formation of gypsum is a persistent problem encountered by several hydrometallurgical processes ...
AFM study of the epitaxial growth of brushite (CaHPO<inf>4</inf>� 2H<inf>2</inf>O) on gypsum cleavage surfacesPinto, A.; Ruiz-Agudo, E.; Putnis, Christine; Putnis, Andrew; Jiménez, A.; Prieto, M. (2010)The epitaxial overgrowth of brushite (CaHPO4·2H 2O) by the interaction of phosphate-bearing, slightly acidic, aqueous solutions with gypsum (CaSO4·2H2O) was investigated in situ using atomic force microscopy (AFM). Brushite ...
Muryanto, Stefanus (2002)Scale formation is one of the persistent problems in mineral processing and related industries. One of the main components of the scale is frequently gypsum or calcium sulphate dihydrate (= CaS04.2H20). Gypsum is formed ...