title: Epitaxial relationships between calcium carbonate and inorganic substrates.
abstract: The polymorph-selective crystallization of calcium carbonate has been studied in terms of epitaxial relationship between the inorganic substrates and the aragonite/calcite polymorphs with implication in bioinspired mineralization. EpiCalc software was employed to assess the previously published experimental results on two different groups of inorganic substrates: aragonitic carbonate crystals (SrCO3, PbCO3, and BaCO3) and a hexagonal crystal family (α-Al2O3, α-SiO2, and LiNbO3). The maximum size of the overlayer (aragonite or calcite) was calculated for each substrate based on a threshold value of the dimensionless potential to estimate the relative nucleation preference of the polymorphs of calcium carbonate. The results were in good agreement with previous experimental observations, although stereochemical effects between the overlayer and substrate should be separately considered when existed. In assessing the polymorph-selective nucleation, the current method appeared to provide a better tool than the oversimplified mismatch parameters without invoking time-consuming molecular simulation.
authors.affiliation: School of Chemical and Biological Engineering, Seoul National University, Seoul 151-742, Korea. taugi1@snu.ac.kr.
authors.forename: Taewook
authors.initials: T
authors.lastname: Yang
authors.affiliation: School of Chemical and Biological Engineering, Seoul National University, Seoul 151-742, Korea. jyjho@snu.ac.kr.
authors.forename: Jae Young
authors.initials: JY
authors.lastname: Jho
authors.affiliation: Department of Chemical Engineering, Soongsil University, Seoul 156-743, Korea. iwkim@ssu.ac.kr.
authors.forename: Il Won
authors.initials: IW
authors.lastname: Kim
mesh_terms: D002119:Calcium Carbonate / Q000737:chemistry*; D003460:Crystallization; D007287:Inorganic Chemicals / Q000737:chemistry*; D008855:Microscopy, Electron, Scanning; D008958:Models, Molecular
chemical_list: D007287:Inorganic Chemicals; D002119:Calcium Carbonate