the analyses of kinetic patterns, and the physical-chemical theories of enzyme action are discussed in the first section. The second section is devoted to a detailed kinetic analysis of two substrate reactions under steady state conditions. The methods by which experimental variations of pH and temperature may be coupled with other types of kinetic analyses to yield information on the mechanism...

An on-the-fly mechanism reduction approach is employed in this paper to integrate detailed chemical kinetics with a computational fluid dynamics (CFD) code. The reduction methodology employs an instantaneous element flux analysis to identify redundant species and reactions for given local conditions. The emphasis of this work is focused on the numerical study of homogeneous charge compression i...

Low molecular weight chemical (LMW) allergens are commonly referred to as haptens. Haptens must complex with proteins to be recognized by the immune system. The majority of occupationally related haptens are reactive, electrophilic chemicals, or are metabolized to reactive metabolites that form covalent bonds with nucleophilic centers on proteins. Nonelectrophilic protein binding may occur thro...

We investigate reactive gas mixtures in the kinetic chemical equilibrium regime. Our starting point is a generalized Boltzmann equation with a chemical source term valid for arbitrary reaction mechanisms and yielding a positive entropy production. We rst study the Enskog expansion in the kinetic chemical equilibrium regime. We derive a new set of macroscopic equations in the zerothand rst-order...

This work is carried out to investigate combustion characteristics of a dual fuel (diesel-gas) engine at part loads, using a quasi-dimensional multi zone combustion model (MZCM) for the combustion of diesel fuel and a single zone model with detailed chemical kinetics for the combustion of natural gas fuel. Chemical kinetic mechanisms consist of 184 reactions with 50 species. This combustion mod...

C3F7H (FM-200) has recently been introduced as an alternative for Halon 1301 (CF3Br) fire suppression agent. In this paper, as part of an effort to study the effects of C3F7H on high temperature ignition of gaseous fuels, we are expanding on our earlier evaluations of ignition inhibition characteristics of C3F7H. Of particular interest is a better or improved understanding of the fundamental me...

Detailed chemical kinetic modeling of gas-phase reactions can result in automatically generated mechanisms that contain thousands of reactions. In this paper, we describe the development of a rule-based expert system tool that organizes these reactions into classes such as hydrogen abstraction and beta scission. We have developed 29 simple classification rules, 20 complex (well-skipping) classi...

This work presents a detailed kinetic modelling study of the thermal pyrolysis of tetraethoxysilane (TEOS). A chemical mechanism is proposed based on an analogy between the hydrocarbon branches attached to the central silicon atom and an existing mechanism for the decomposition and combustion of ethanol. Important reaction pathways are identified through element flux and sensitivity analyses. I...

There are significant resources of oil shale in the western United States, which if exploited in an environmentally responsible manner would provide secure access to transportation fuels. Understanding the kinetics of kerogen decomposition to oil is critical to designing a viable process. A dataset of thermo gravimetric analysis (TGA) of the Green River oil shale is provided and two distinct da...