The Mechanism of Formation of Glass-Ionomer Cement: A Theoretical Study
The Mechanism of Formation of Glass-Ionomer Cement: A Theoretical Study作者机构：Departamento de Ciencias Básicas Universidad de Medellín Medellín Colombia Universidad Nacional de Colombia Sede Medellín Colombia
出 版 物：《Modeling and Numerical Simulation of Material Science》 (材料科学建模与数值模拟（英文）)
年 卷 期：2013年第3卷第4期
页 面：149-154页
主 题：Dental Cements Resin-Modified Glass-Ionomer Cement Glycidyl Methacrylate Amino Acid Derivatives Density Functional Theory
摘 要：A resin-modified glass-ionomer cement (RMGIC) was studied from a computational point of view. We suggest terpolymer formation by reaction of fixation through a combination of acrylic acid (AA), itaconic acid (IA) and an aminoacid derivative (AAD) in different positions. We found that AAD-AA-IA is thermodynamically more stable, but AA-IA-AAD is the combination which can react with glycidyl methacrylate (GM) to form a grafted polymer with two pendant methacrylate groups which can be used later in the process of light-curing. A RMGIC contains a glass powder of calcium-fluoroaluminosilicate acting as the source of cross linking, and for this reason, we have optimized two intramolecular Al3+ tricarboxylate complexes (salt-bridges) formed from the most stable grafted polymers. A possible reaction mechanism for the addition of (GM) to copolymer is proposed.
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