ABSTRACT. A large class of consecutive-parallel addition reactions with a large number of steps has been considered. The system of differential equations describing the kinetics of consecutive-parallel reactions in the non-catalytic process of ethylene oxide hydrolysis has been investigated. By a series of assumptions it is possible to obtain the analytical solution for the distribution of reac...

Abstract. This article is concerned with the asymptotic accuracy of the Computational Singular Perturbation (CSP) method developed by Lam and Goussis to reduce the dimensionality of a system of chemical kinetics equations. The method exploits the presence of disparate time scales to model the dynamics by an evolution equation on a lower-dimensional slow manifold. In this article it is shown tha...

The numerical prediction of crystallization transformation is of great interest in several applications. One such application is the polymer-forming process. In this short communication, the integration of the widely used Nakamura kinetics is discussed. A robust time integration method is proposed. In order to overcome its singularities, the Nakamura function is thresholded. A convergence analy...

A general mathematical framework for the quantitative description of cluster size dependence in heterogeneous catalytic reactions has been developed based on an analysis Gibbs energy elementary reactions. The methodology was illustrated a generic linear sequence with three steps, multi-step mechanism ethanol oxidation comprising linear, nonlinear and quasi-equilibria steps network parallel tran...

A relationship between the preexponent of the rate constant and the distribution over activation barrier energies for enzymatic/protein reactions is revealed. We consider an enzyme solution is an ensemble of individual molecules with different values of the activation barrier energy described by the distribution. From solvent viscosity effect on the preexponent we derive the integral equation f...

This article is concerned with the asymptotic accuracy of the Computational Singular Perturbation (CSP) method developed by Lam and Goussis [The CSP method for simplifying kinetics, Int. J. Chem. Kin. 26 (1994) 461–486] to reduce the dimensionality of a system of chemical kinetics equations. The method, which is generally applicable to multiple-time scale problems arising in a broad array of sc...