Litcius/Paper detail

Rational approximations of the Arrhenius and general temperature integrals, expansion of the incomplete gamma function

Alireza Aghili, Vahid Arabli, Amir Hossein Shabani

2024Chemical Engineering Communications15 citationsDOIOpen Access PDF

Abstract

When analyzing materials non-isothermally using the Arrhenius equation under linear heating, a temperature integration is necessary. While the frequency factor in this equation is typically assumed to be constant, it can actually vary with temperature for certain solid-state reactions. The resulting temperature integral, known as the Arrhenius or general temperature integrals, usually have no analytical solutions. Therefore, special functions and approximation functions are often used to estimate them. In this particular study, new rational approximations for the Arrhenius and general temperature integrals were derived through the expansion of the incomplete gamma function. Two sets of these rational approximations, which exhibit excellent accuracy, are presented. One set of approximations for the Arrhenius integral matches the widely used Senum and Yang’s approximations, while the other set, which offers even greater accuracy, has not been previously reported. An obtained rational approximation has been utilized to simulate the thermal degradation of a commercially available PMMA, illustrating a practical application example.

Topics & Concepts

Arrhenius equationIsothermal processArrhenius plotRational functionThermodynamicsApplied mathematicsFunction (biology)Activation energyMathematicsMathematical analysisPhysicsChemistryPhysical chemistryEvolutionary biologyBiologyThermal and Kinetic AnalysisChemical Thermodynamics and Molecular StructureThermodynamic and Structural Properties of Metals and Alloys