Chemical Physics Letters, Vol.690, 116-128, 2017
Deconvolution technique for the kinetic analysis of a complex reaction and the related thermodynamic functions of the formation of LiMn0.90Co0.05Mg0.05PO4
Four separated peaks of the thermal reaction of the mixture between NH4Mn0.90Co0.05Mg0.05PO4 center dot H2O and Li2CO3 were considered to be dehydration, deammoniation, polycondensation and decarbonization. Alternative technique for the conversion calculation was proposed by using the deconvoluted DTG peak after the Fraser-Suzuki equation was used. Iteration was used to estimate the activation energy E-alpha. Each peak was confirmed as a single-step kinetic. Dual-plots were compared to choose the mechanisms. Mechanisms were found to be contracting cylinder, contracting sphere, assumed random nucleation and 2D diffusion. Pre-exponential factor was obtained from E-alpha and mechanisms. Thermodynamic data were found to agree with the experimental data. (C) 2017 Elsevier B.V. All rights reserved.
Keywords:Thermal solid-state reaction;Iterative integral isoconversional equation;Fraser-Suzuki function;Individual peak;Master plot;Thermodynamic functions