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Analysis of CoZnpo-HEX (CZP) Crystalisation Synthesised using Solvent-Free and Low-Temperature Heating Methods and Its Crystal Growth Simulation
Anggraini Widya Ningtyas, Elva Oktavianti Pertiwi, Husni Wahyu Wijaya, Danar Danar, Meyga Evi Ferama Sari, Volkan Degirmenci, Nani Farida

Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, Indonesia
School of Engineering, University of Warwick, Coventry, UK


Abstract

Zincophosphate having CZP structure (CoZnPO-HEX) is important as a catalyst in Knoevenagel condensation of benzaldehyde with activated methylenic compounds or the Michael addition of nitroethane to olefin with different steric demand, acrolein and 2-phenylacrolein. Therefore, crystal growth study of CoZnPO-HEX is crucial for crystal habit modification as well as for optimization and expansion of the material^s functions. Several parameters of crystal growth, such as nucleation time, gel supersaturation, and crystal size changes during the synthesis process can be analysed by observing the material^s crystallisation profile. In this study, crystallisation analysis of CoZnPO-HEX synthesised using two different synthesis methods, solvent-free and low-temperature heating, has been investigated from its crystallinity curve based on Powder-XRD data supported by SEM and FTIR data. As a comparison, crystal growth simulation was performed using CrystalGrower software to determine the morphology, surface topography, and theoretical crystal growth mechanisms. From this study, we found that the nucleation time of the CoZnPO-HEX crystals in the low-temperature heating synthesis took place during the aging process. The crystal morphology of the as-prepared materials matched the simulation^s one. The CrystalGrower simulation proved that the smallest t-czp-1 tile started the nucleation on the crystal surface because of its low free energy.

Keywords: CoZnPO-HEX, CZP, Crystallisation, Crystal Growth

Topic: Computational Chemistry and Material Sciences

Plain Format | Corresponding Author (Nani Farida)

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