Keywords

Calcite, Dissolution, Nucleation, Supersaturation, Surface Tension

Abstract

An overarching mathematical framework is proposed to describe entire mineral particle precipitation processes, including multiple polymorphic forms and ranges of temperatures. While existing models portray individual physical phenomena, the presented approach incorporates a diverse set of the physical phenomena simultaneously within a single mathematical description. The liquid and solid phase dynamics interact through coupling an aqueous ionic equilibrium-chemistry model with a set of population balance equations and a mixing model. Including the particle physical phenomena, nucleation, growth, dissolution, and aggregation together within a single framework allows for the exploration of nonintuitive and nontrivial coupling effects. To validate the proposed framework, the CaCO3 system and results described within Ogino, T.; Suzuki, T.; Sawada, K. Geochim. Cosmochim. Acta1987, 51, 2757–2767 were utilized. The proposed framework captures general trends and timescales, even while being constructed of relatively basic physical models with approximations and known uncertainties. Interpolymorph coupling effects, which were found to be important in the validation system’s evolution, and dynamics within each polymorph’s particle size distribution are captured by the framework.

Original Publication Citation

B. B. Schroeder, D. D. Harris, S. T. Smith, and D. O. Lignell Crystal Growth & Design 2014 14 (4), 1756-1770 DOI: 10.1021/cg401892b

Document Type

Peer-Reviewed Article

Publication Date

2014-03-04

Publisher

American Chemical Society

Language

English

College

Ira A. Fulton College of Engineering

Department

Chemical Engineering

University Standing at Time of Publication

Full Professor

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