Home » Chemistry

Category Archives: Chemistry

Modeling and Simulation of Heterogeneous Catalytic Reactions

Modeling and Simulation of Heterogeneous Catalytic Reactions by Olaf Deutschmann

Modeling and Simulation of Heterogeneous Catalytic Reactions
by Olaf Deutschmann

The Nobel Prize in Chemistry 2007 awarded to Gerhard Ertl for his groundbreaking studies in surface chemistry highlighted the importance of heterogeneous catalysis not only for modern chemical industry but also for environmental protection.

Heterogeneous catalysis is seen as one of the key technologies which could solve the challenges associated with the increasing diversification of raw materials and energy sources. It is the decisive step in most chemical industry processes, a major method of reducing pollutant emissions from mobile sources and is present in fuel cells to produce electricity.

The increasing power of computers over the last decades has led to modeling and numerical simulation becoming valuable tools in heterogeneous catalysis. This book covers many aspects, from the state-of-the-art in modeling and simulations of heterogeneous catalytic reactions on a molecular level to heterogeneous catalytic reactions from an engineering perspective.

This first book on the topic conveys expert knowledge from surface science to both chemists and engineers interested in heterogeneous catalysis. The well-known and international authors comprehensively present many aspects of the wide bridge between surface science and catalytic technologies, including DFT calculations, reaction dynamics on surfaces, Monte Carlo simulations, heterogeneous reaction rates, reactions in porous media, electro-catalytic reactions, technical reactors, and perspectives of chemical and automobile industry on modeling heterogeneous catalysis. The result is a one-stop reference for theoretical and physical chemists, catalysis researchers, materials scientists, chemical engineers, and chemists in industry who would like to broaden their horizon and get a substantial overview on the different aspects of modeling and simulation of heterogeneous catalytic reactions.

Chemistry of Drugs

This text will undoubtedly be useful for stabilising the rogue leg of that annoyingly wobbly 1960s coffee table in Chemistry of Drugsthe “lounge” of your shared student house. It could also be profitably employed to wedge the toilet door shut now that the locking bolt has fallen off, or even find use as an aid to sleep when you find yourself suffering insomnia. Its more prosaic use, however, but yet the use for which it was lovingly crafted by its authors, is as a revision aid for Pharmacy students who are preparing for examinations involving organic chemistry, elementary medicinal chemistry, and biochemistry.
The book should be seen neither as a substitute for lecture notes, nor as a cheap alternative to the more comprehensive textbooks. Rather, it should be viewed as a valuable adjunct to your own lecture notes, and as a resource for you to gauge your progress in learning as you swot up on the chemistry of drugs.
A detailed knowledge and understanding of the chemistry of drugs is fundamental to the discipline of Pharmacy. Such knowledge and understanding allows the practising Pharmacist to appreciate the methods by which drugs are synthesised, the ways in which they are analysed and tested prior to licensing and marketing, and the ways in which they are quality assured in manufacture. It is the chemistry of the molecules that is responsible for their pharmacological activity; it is their chemistry that determines the ways in which they are formulated as medicines;
and it is their chemistry that determines their stability on the shelf in the home, and their stability and fate within the human body.
When you do delve inside this book, you might first like to revise one of the topics (using your own notes) and then test yourself on that topic by attempting the self-assessment multiple choice questions given at the end of the relevant chapter.
That way, you’ll get some idea as to the quality of your notes and/or revision of that topic. You can then read and digest the material presented in that chapter, hopefully improving your knowledge and understanding of the subject as you do so.

David Barlow David Mountford
March 2014