Kinetic Parameter Estimation in Ammonia Synthesis Reaction Through Nonlinear Regresion.

Ammonia synthesis optimization is of high interest in industry as market expands and demand increases. The optimization is made possible through fractional conversion of nitrogen in a reaction. Material balance is performed across bed of KMIR HaldorTopsoe catalyst before model equation of reaction is obtained. Next part of this project is kinetic parameter estimation in ammonia synthesis reaction. The two main parameters estimated are the pre- exponential factor and activation energy. The rate expression is done through Temkin equation 1950. Transitional state theory and statistical thermodynamics are used to obtain pre-exponential factor calculation. Sackur- Tetrode equation is used to calculate translational entropy and Yamada and Gunn (1973) correlation is used to calculate molar volume. The activation energy is calculated by minimizing residual sum of squares errors between experimental data and model calculated values.