無焼成セラミックスモデルとしてのシリカ界面の反応に関する分子動力学法

抄録

Ceramic is an important material in industry, but it is said that the firing process accounts for about 60% of the energy consumption in the entire manufacturing process. For this reason, exhaust gas during firing has become an environmental problem, and non-firing ceramics that are solidified by a chemical reaction without firing are attracting attention. In this study, we analyse the reaction process of non-firing ceramic using the molecular dynamics method, which is a simulation method. In the activation calculation using the indenter, an original model with one indenter and an increase model using indenters with multiple diameters changed were used. As a result, it was confirmed that the internal structure of the ceramic material particles was activated in the increase model using multiple indenters. In addition, in the calculation of arranging water molecules on the activated surface, new bonds via water molecules were found. However, there was no difference in intensity between the two models.