The kinetics of reduction of [Ru(III)(edta)pz]⁻ (edta⁴⁻ = ethylenediaminetetraacetate; pz = pyrazine) by thioamino acids (RSH = cysteine, glutathione) resulting in the formation of a red [Ru(II)(edta)pz]²⁻ species (λ(max) = 462 nm) has been studied spectrophotometrically using both conventional mixing and stopped-flow techniques. The time course of the reaction was followed as a function of [RS...

We examine the chemical basis for simplified chemical reaction models by using numerical simulations of adiabatic explosion with detailed chemical kinetic mechanisms under pressure and temperature conditions relevant to detonations. We have studied hydrogen, methane, and ethane to determine the reaction structure and characterize it in terms of three overall features: induction time, energy rel...

The characterization of the notions of complex and detailed balancing for mass action kinetics chemical reaction networks is revisited from the perspective of algebraic graph theory, in particular Kirchhoff’s Matrix Tree theorem for directed weighted graphs. This yields an elucidation of previously obtained results, in particular with respect to the Wegscheider conditions, and a new necessary a...

We study two specific measures of quality of chemical reaction networks, Precision and Sensitivity. The two measures arise in the study of sensory adaptation, in which the reaction network is viewed as an input-output system. Given a step change in input, Sensitivity is a measure of the magnitude of the response, while Precision is a measure of the degree to which the system returns to its orig...

The saponification of an aromatic ester with an aqueous sodium hydroxide was studied within a heterogeneous reaction medium in order to determine the overall kinetics of the selected system. The extended thermo-kinetic model was developed compared to the previously used simple one. The reaction rate within a heterogeneous liquid-liquid system incorporates a chemical kinetics term as well as mas...

Recent interest in the (p, ~c) reactions in nuclei stems from the work ofthe Uppsala group r) on low energy pion production from tZC.and 9Be. It was generally felt that the detailed structure evident in these reactions together with the large momentum transfers involved wouldmake (p, n) reactions a sensitive probe of the high momentumcomponents of nuclear wave~unctions. The disappointing result...

For large and complex reacting systems, computational efficiency becomes a critical issue in process simulation, optimization and model-based control. Mechanism simplification is often a necessity to improve computational speed. We present a novel approach to simplification of reaction networks that formulates the model reduction problem as an optimization problem and solves it using geneti...

Abstract We consider nonlinear reaction systems satisfying mass-action kinetics with slow and fast reactions. It is known that the fast-reaction-rate limit can be described by an ODE Lagrange multipliers a set of constraints ask reactions to in equilibrium. Our aim study limiting gradient structure which available if system satisfies detailed-balance condition. The on concentration vectors give...

In this paper, we report the reaction of isoamyl alcohol and 1-chloro-4-nitrobenzene was carried out in a batch reactor under aqueous-organic biphasic conditions using the techniques like phase transfer catalysis and ultrasound irradiation. Tetrabutylammonium bromide (TBAB) was employed as the phase transfer catalyst. The reaction is greatly enhanced by adding a small quantity of phase-transfer...