Mathematical Modeling of Limestone Decarbonization Process and Theory of Nanoparticles Reaction Mechanism

Abstract

The conventional way of studying material reactivity—progression of the global reaction kinetics, preservation of their properties as a function of time and environmental condition does not fully give the complexity of the processes involved. Consequently conventional models developed often do no exactly represent the reaction processes in a medium. This article seeks to introduce nanoscience to the development of limestone decarbonization process chemistry model. The inclusion of atomistic computation into the conventional mathematical model could open a new perspective in the determination of parameters that influence global rate of CaCO₃ decarbonization reaction. This is the focus of this presentation. Comparison of experimental results with computed values show appreciable agreement with correlation coefficient ranging from 0.77 to 1.

Keywords:

• Decarbonization
• kinetics
• mechanism and global rate
• modelling