Simulating Baryte Nucleation and Crystallisation in Non-Stoichiometric Conditions: Applications of CrystalGrower, A Morphological Study

Abstract

The research questions asked were: What is the morphology of baryte synthesised in different laboratory concentrations and supersaturations? How accurately does CG simulate these morphologies? Can these simulations or morphologies constrain the depositional environment of Archean baryte? Simulation software, CrystalGrower (CG), programmed to simulate growth of crystalline material has been developed at the Centre for Nanoporous Materials at the University of Manchester. To our knowledge, this is the first paper written for Utrecht University that involves CG. As well as finding an application for CG, this project has also involved nucleating and crystalising baryte at different concentrations and stoichiometries, using different reagents, in batch laboratory setups to compare the morphologies between simulated baryte and laboratory synthesised baryte. Experimenting with stoichiometry in a laboratory setting may also lead to constraints on Archean baryte deposits from 3.5 – 3.2 Ga as previous research shows the atmosphere was relatively depleted in Oxygen (<10-5 Present Atmospheric Level) (Pavlov & Kasting, 2002), resulting in reducing conditions with low sulphate concentrations (<10 µM) (Busigny et al., 2017). Whilst comparing Archean baryte to simulated baryte is difficult for a variety of reasons, if more refinement could be carried out regarding CG and more constraints could be placed on the depositional environments of Archean baryte then future research could include CG in a variety of research regarding other salts such as other sulphates, carbonates, sulphides etc. The applications of CG could be extensive, but more background information regarding the interactions between barium and sulphate is necessary.