Mesoscopic model of nucleation and Ostwald ripening/stepping: Application to the silica polymorph system

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dc.citation.epage10525en_US
dc.citation.issueNumber23en_US
dc.citation.spage10510en_US
dc.citation.volumeNumber112en_US
dc.contributor.authorOzkan, G.en_US
dc.contributor.authorOrtoleva, P.en_US
dc.date.accessioned2016-02-08T10:38:03Z
dc.date.available2016-02-08T10:38:03Z
dc.date.issued2000en_US
dc.departmentDepartment of Mathematicsen_US
dc.description.abstractPrecipitation is modeled using a particle size distribution ~PSD! approach for the single or multiple polymorph system. A chemical kinetic-type model for the construction of the molecular clusters of each polymorph is formulated that accounts for adsorption at a heterogeneous site, nucleation, growth, and Ostwald ripening. When multiple polymorphs are accounted for, Ostwald stepping is also predicted. The challenge of simulating the 23 order of magnitude in cluster size ~monomer, dimer, . . . , 1023-mer! is met by a new formalism that accounts for the macroscopic behavior of large clusters as well as the structure of small ones. The theory is set forth for the surface kinetic controlled growth systems and it involves corrections to the Lifshitz–Slyozov, Wagner ~LSW! equation and preserves the monomer addition kinetics for small clusters. A time independent, scaled PSD behavior is achieved both analytically and numerically, and the average radius grows with Rave}t1/2 law for smooth particles. Applications are presented for the silica system that involves five polymorphs. Effects of the adsorption energetics and the smooth or fractal nature of clusters on the nucleation, ripening, and stepping behavior are analyzed. The Ostwald stepping scenario is found to be highly sensitive to adsorption energetics. Long time scaling behavior of the PSD reveals time exponents greater than those for the classical theory when particles are fractal. Exact scaling solutions for the PSD are compared with numerical results to assess the accuracy and convergence of our numerical technique. © 2000 American Institute of Physics. @S0021-9606~00!70123-1#en_US
dc.description.provenanceMade available in DSpace on 2016-02-08T10:38:03Z (GMT). No. of bitstreams: 1 bilkent-research-paper.pdf: 70227 bytes, checksum: 26e812c6f5156f83f0e77b261a471b5a (MD5) Previous issue date: 2000en
dc.identifier.doi10.1063/1.481685en_US
dc.identifier.issn219606
dc.identifier.urihttp://hdl.handle.net/11693/25032
dc.language.isoEnglishen_US
dc.publisherAmerican Inst of Physics, Woodbury, NY, United Statesen_US
dc.relation.isversionofhttp://dx.doi.org/10.1063/1.481685en_US
dc.source.titleJournal of Chemical Physicsen_US
dc.subjectAdsorptionen_US
dc.subjectComputer simulationen_US
dc.subjectGrowth (materials)en_US
dc.subjectMathematical modelsen_US
dc.subjectNucleationen_US
dc.subjectParticle size analysisen_US
dc.subjectPrecipitation (chemical)en_US
dc.subjectOstwald ripeningen_US
dc.subjectOstwald steppingen_US
dc.subjectPolymorphsen_US
dc.subjectSilicaen_US
dc.titleMesoscopic model of nucleation and Ostwald ripening/stepping: Application to the silica polymorph systemen_US
dc.typeArticleen_US

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