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Indexed by:期刊论文

Date of Publication:2016-01-01

Journal:MATERIALS TODAY-PROCEEDINGS

Included Journals:CPCI-S、CPCI-SSH、SCIE

Volume:3

Issue:2

Page Number:652-656

ISSN No.:2214-7853

Key Words:TiO2; fine particles; supercritical water; molecular dynamics

Abstract:The effect of reaction temperature and pressure on the crystalline phase and morphology of TiO2 particles synthesized in supercritical water system was investigated. The nucleation mechanism of TiO2 in SCW system was analyzed by molecular dynamic simulations. The experimental results shown that particles obtained at different conditions were all anatase TiO2 with pure phase and high crystallinity. The simulation results indicated that the average bond distance of Ti and O of TiO2 was similar to the distribution in the corresponding crystals. Also, the distance of O-O(TiO2) and Ti-Ti was consistent with the values observed in crystals. (C) 2016 Published by Elsevier Ltd.