Atomistic Simulation Studies of Mineral Surfaces and the Role of Impurities on Their Structure and Stability

S. C. Parker, P. S. Baram, J. O. Titiloye and G. W. Watson
School of Chemistry, University of Bath, Bath, BA2 7AY, U.K.

Summary: In summary, the predictions made in this work are consistent with experimental observations and demonstrate the use of atomistic simulations in predicting the effects of additives in crystal growth technology. Future studies will focus improving interatomic potentials, considering a wider range of additives and incorporate the influence of pH and ionic strength on surface selectivity.

Mineralogical Magazine; August–September 1994 v. 58A; no. 2; p. 688-689; DOI: 10.1180/minmag.1994.58A.2.96
© 1994, The Mineralogical Society
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