Catalysis introductory concepts

The technical concept of biphasic catalysis is simple and allows an elegant process design. Regarding the reciprocal miscibilities of the substrate and the catalyst solution (S and C in Figure 5), three basic modifications of the two-phase process under the introductory prerequisites may be considered. 

The purpose of this book is to describe the present state of development of modem surface science at an introductory level to students of physical sciences and engineering. Junior standing in chemistry, physics, engineering, or the life sciences would qualify the student to take a course that would make use of this text. Teachers of introductory general chemistry courses usually given during the first year of university or college enrollment could use certain chapters (with deletions of some of the derivations) to supplement discussions of thermodynamics or catalysis, for example. We have used some of the chapters as supplementary material in our freshman and our core physical chemistry courses at Berkeley. The book should also be useful as a reference for professionals in need of data and concepts related to the properties of surfaces and interfaces. 

These successes, though notable in themselves, and providing a background of support for Balandin s conceptions, must nevertheless be regarded as but introductory to the fuller elucidation still to come of the part played by geometry in contact catalysis. 

In this chapter we present an introductory overview of important theoretical concepts and practical tools essential for computational modeling of catalytic reactions in zeolites using quantum chemical calculations. The power and capabilities of state-of-the-art computational catalysis methodologies will be illustrated by discussing selected relevant examples from the recent literature. 

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