Page 17 - Modeling of Chemical Kinetics and Reactor Design

Introduction

Increased collaboration between chemical reaction engineering and
chemistry disciplines in recent years has produced significant advances
in kinetic and thermodynamic modeling of processes. Additionally,
improvement in analytical chemistry techniques, the formulation of
mathematical models, and the development of computational tools have
led to a deeper understanding of complex chemical reaction kinetics,
particularly in mixtures with large numbers of compounds. Activities
in both academic and industrial research organizations have enabled
these groups to review the state of the art and cooperate with the
overall objectives of improving the safety, yields, and quality of the
products. Also, the final commitment to the production of any chemical
product often depends on its profitability and other economic factors.
Chemical kinetics mainly relies on the rates of chemical reactions
and how these depend on factors such as concentration and temperature.
An understanding of chemical kinetics is important in providing
essential evidence as to the mechanisms of chemical processes. Although
important evidence about mechanisms can be obtained by non-kinetic
investigations, such as the detection of reaction intermediates, knowledge
of a mechanism can be confirmed only after a detailed kinetic investi-
gation has been performed. A kinetic investigation can also disprove
a mechanism, but cannot ascertain a mechanism.
Kinetic investigations cover a wide range from various viewpoints.
Chemical reactions occur in various phases such as the gas phase, in
solution using various solvents, at gas-solid, and other interfaces in
the liquid and solid states. Many techniques have been employed for
studying the rates of these reaction types, and even for following fast
reactions. Generally, chemical kinetics relates to the studies of the rates
at which chemical processes occur, the factors on which these rates
depend, and the molecular acts involved in reaction mechanisms.
Table 1 shows the wide scope of chemical kinetics, and its relevance
to many branches of sciences.

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