Development of a Novel Conversion Equation as a Function of Catalytic Reaction Conditions in Tubular Reactors

Abstract

A comprehensive conversion equation was developed to simulate the catalytic reaction conditions (include temperature, pressure, residence time, and reaction composition) in tubular reactors: X(M) = 1 - exp[-exp(A+B/T(r) + CT(r))p(r)(np0 +) (n p1pr)tau(nr0)(r) (+) (n tau 1 tau)r Pi(m)(i=1)y(i)(ny0+ny1yyi)]. This conversion equation is based on the characteristics of the power-exponential function g(u) = u(a+bu) as well as the "variable reaction order" and "virtual reactant" concepts. Its validity was verified by fitting experiment data from three different catalytic systems such as the dehydrogenation of diethyl benzene, the hydrogenation of ethylbenzene, and the hydrodesulfurization of thiophene. The results show that the influences of reaction temperature, pressure, residence time, and reactant composition on the conversion of the reactant can be determined within a wide range of values. By comparison with the experimental data, the calculated conversions were all found to have a total average relative deviation of less than 2%. This suggests that the conversion equation is not limited to a specific catalyst system but could be suitable for various catalyst systems in tubular reactors.