Zeitschrift für Chemieingenieurwesen und Prozesstechnologie
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Abstrakt

Chemical Reaction Thermodynamics and Reaction Rate Theory

Ivan A Gargurevich

Chemical reactor modeling requires the formulation of Heat, Mass, and Chemical Species balances and depending on reactor configuration Computational Fluid Dynamic (CFD) to account for mixing effects. Thermochemical properties such as the species enthalpy have to be considered to account for heat of chemical reactions when conducting an overall or finite energy balance. To properly calculate the heat of reaction due to a reversible reaction, knowledge of the forward and reverse rate coefficients is required. Similarly, the species balance requires knowledge of the net rates of chemical reactions within the reactor to account for composition changes and the equilibrium constant is needed.