The main purpose of this work is to investigate the porous medium and diffusion-thermo effects on unsteady combined convection magneto hydrodynamics boundary layer flow of viscous electrically conducting fluid over a vertical permeable surface embedded in a high porous medium, in the presence of first order chemical reaction and thermal radiation. The slip boundary condition is applied at the p...

The modeling of thermal reaction furnaces of Sulfur Recovery Units (SRUs) is a rather complex problem since it involves different modeling scales such as the kinetic/molecular scale, the reactor scale, and the chemical process scale. This work introduces the multi-scale modeling approach to characterize the kinetic and reaction engineering scales for the thermal section of SRUs, involving the r...

Many biochemical and industrial applications involve complicated networks of simultaneously occurring chemical reactions. Under the assumption of mass action kinetics, the dynamics of these chemical reaction networks are governed by systems of polynomial ordinary differential equations. The steady states of these mass action systems have been analyzed via a variety of techniques, including stoi...

The design of efficient Organic Rankine Cycle (ORC) units for the usage of industrial waste heat at high temperatures requires direct contact evaporators without intermediate thermal oil circuits. Therefore, the thermal stability of high-temperature working fluids gains importance. In this study, the thermal degradation of hexamethyldisiloxane (MM) is investigated in an electrically heated tube...

Here we report a photochemical and kinetic study of the thermal relaxation reaction of a double azobenzene system, in which two azobenzene photochromic units are connected via a phenyl ring. Upon UV irradiation, three thermally unstable isomers are formed. Kinetic studies using arrayed (1)H-NMR spectroscopy revealed four distinct barriers for the thermal reversion to the stable isomer. The doub...

This section describes the research efforts and progress made for the implementation and performance of the quantum mechanical reactive scattering application (3D-REACT) across CASA heterogeneous computer environments with nodes that can reside at geographically different locations. This is a scientifically and technically important application. The formalism uses a symmetrized hyperspherical c...

We analyze certain chemical reaction networks and show that every solution converges to some steady state. The reaction kinetics are assumed to be monotone but otherwise arbitrary. When diffusion effects are taken into account, the conclusions remain unchanged. The main tools used in our analysis come from the theory of monotone dynamical systems. We review some of the features of this theory a...

Understanding the motions of the constituent atoms in reacting molecules lies at the heart of chemistry and is the central focus of chemical reaction dynamics. The most detailed questions one can ask are about the evolution of molecules prepared in a single quantum state to products in individual states, and both calculations and experiments are providing such detailed understanding of increasi...

We describe a large class of chemical reaction networks, those endowed with a subtle structural property called concordance. We show that the class of concordant networks coincides precisely with the class of networks which, when taken with any weakly monotonic kinetics, invariably give rise to kinetic systems that are injective - a quality that, among other things, precludes the possibility of...

Nucleosynthesis in evolved (RGB and AGB) low-mass stars is reviewed under the light of the reaction rates recommended in the NACRE compilation (Angulo et al. 1999). We use a parametric model of stellar nucleosynthesis to investigate the uncertainties that still exist nowadays on the nuclear data and to give a critical point of view on the resulting evolution of the chemical abundances. We discu...