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• W2049222639 abstract "The nucleation mechanism of zeolite A is investigated by means of Density Functional Theory (DFT) calculations. We calculated the Gibbs free energy change for the polymerization and cyclization reactions involved in the nucleation of zeolite A in the gas phase and solution between 298 and 450 K. Our analysis reveals that the four-ring species formed could be the most likely to participate in the nucleation of zeolite A, and its nucleation mechanism could proceed by a reaction route which involves the formation of the double-four-ring." @default.
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• W2049222639 date "2013-11-14" @default.
• W2049222639 modified "2023-09-24" @default.
• W2049222639 title "Modeling the Nucleation of Zeolite A" @default.
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• W2049222639 doi "https://doi.org/10.1021/jp4050034" @default.
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