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A resin-modified glass-ionomer cement RMGIC was studied from a computationalpoint of view. We suggest terpolymer formation by reaction of fixation througha combination of acrylic acid AA, itaconic acid IA and an aminoacidderivative AAD in different positions. We found that AAD-AA-IA isthermodynamically more stable, but AA-IA-AAD is the combination which can reactwith glycidyl methacrylate GM to form a grafted polymer with two pendantmethacrylate groups which can be used later in the process of light-curing. ARMGIC contains a glass powder of calcium-fluoroaluminosilicate acting as thesource of cross linking, and for this reason, we have optimizedtwo intramolecular Al3+ tricarboxylate complexes salt-bridgesformed from the most stable grafted polymers. A possible reaction mechanism forthe addition of GM to copolymer is proposed.

KEYWORDS

Dental Cements; Resin-Modified Glass-Ionomer Cement; Glycidyl Methacrylate; Amino Acid Derivatives; Density Functional Theory

Cite this paper

J. Gaviria, C. García, E. Vélez and J. Quijano -The Mechanism of Formation of Glass-Ionomer Cement: A Theoretical Study,- Modeling and Numerical Simulation of Material Science, Vol. 3 No. 4, 2013, pp. 149-154. doi: 10.4236-mnsms.2013.34021.





Author: Jair Gaviria, Claudia G. García, Ederley Vélez, Jairo Quijano

Source: http://www.scirp.org/



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