Mathematics for Enzyme Reaction Kinetics and Reactor Performance. F. Xavier Malcata

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Mathematics for Enzyme Reaction Kinetics and Reactor Performance - F. Xavier Malcata

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simulation and optimization of enzyme reactors, theoretical optimization of thermodynamically and kinetically controlled processes, production and immobilization of oxidoreductases and hydrolases for industrial applications, and design and optimization of bioreactors to produce and process edible oils. In addition, he has developed work on: microbiological and biochemical characterization and technological improvement of traditional foods, development of nutraceutical ingredients and functional foods, rational application of unit operations to specific agri‐food processing, and design and development of novel photobioreactors for cultivation of microalgae, aimed at biofuel or high added‐value compound production. To date, he has published more than 400 papers in peer‐reviewed international journals that received more than 12000 official citations in all (without self-citations), corresponding to an h‐index of 54; he has supervised 30 Ph.D. dissertations successfully concluded; he has written 14 monographs and edited 5 multiauthored books; he has authored more than 50 chapters in edited books and 35 papers in trade journals, besides more than 50 technical publications. He was also a member of about 60 peer‐reviewing committees of research projects and fellowships; he has acted as supervisor of 90 individual fellowships, most at Ph.D. and postdoctoral levels, and collaborated in 60 research and development projects – of which he has served as principal investigator in 36; he has participated in 50 organizing/scientific committees of professional meetings; he has delivered 150+ invited lectures worldwide, besides almost 600 volunteer presentations in congresses and workshops; he has served in the editorial board of 5 major journals in the applied biotechnology, and food science and engineering areas; and he has reviewed several hundred manuscripts for journals and encyclopedia. He has been a longstanding member of American Institute of Chemical Engineers, American Chemical Society, IFT, American Association for the Advancement of Science, AOCS, IAFP, and ADSA.

       Ad augusta per angusta.

      (Toward the top, through hard work)

      Comprehensive mathematical simulation – using mechanistic models as far as possible, constitutes an essential contribution to rationally characterize performance, as well as support design and drive optimization of any enzyme reactor. However, too often studies available in the literature – including text and reference books, deal with extensive modelling of chemical reactors that employ inorganic catalysts, or instead present extensive kinetic analysis of enzymes acting only (and implicitly) in batch apparatuses. Although constraining from an engineering perspective, this status quo is somewhat expected – because chemical engineers typically lack biochemical background, while biochemists miss engineering training. Meanwhile, rising environmental concerns and stricter legislation worldwide have urged the industry to resort to more sustainable, efficient, and cleaner processes – which tend to mimic natural (i.e. enzyme‐mediated) pathways; they generate essentially no polluting effluents or residues, require mild conditions of operation, and exhibit low‐energy requirements – while taking advantage of the extremely high activity and unique substrate selectivity of enzymes. The advent of genetic engineering has also dramatically contributed to drop the unit price, and enlarge the portfolio of enzymes available for industrial purposes, via overexpression in transformed microorganisms and development of sophisticated purification techniques; and advances in molecular engineering have further permitted specific features, in terms of performance and stability, be imparted to enzymes for tailored uses, besides overcoming their intrinsic susceptibility to decay.

      In a word, Enzyme Reactor Engineering attempts to contribute to a thorough understanding of the engineering concepts behind enzyme reactors – framed by a rigorous mathematical and physically consistent approach, and based on mechanistic expressions describing physical phenomena and typical expressions for enzyme‐mediated kinetics and enzyme decay. It takes advantage of a multiplicity of mathematical derivations, but ends up with several useful formulae while highlighting general solutions; and covers from basic definitions and biochemical concepts, through ideal models of flow, eventually to models of actual reactor behavior – including interaction with physical separation and external control. The typical layout of each chapter accordingly includes: introductory considerations, which set the framework for each theme in terms of relevance; objective definition, which entails specific goals and usefulness of ensuing results; and mathematical stepwise development, interwoven with clear physicochemical discussion (wherever appropriate), which resort to graphical interpretations and present step‐by‐step proofs to eventually generate (duly highlighted) milestone formulae. All in all, such an approach is aimed at helping one grasp the essence of descriptive functions, as well as the meaning behind hypothesized parameters and attained optima. Selected papers, chapters, or books are listed at the end, for more in‐depth, complementary reading – aimed at reinforcing global overviews.

      Enzyme Reactor Engineering is organized as four major sets, which support a self‐consistent and ‐contained book collection: Enzyme Reaction Kinetics and Reactor Performance, Analysis of Enzyme Reaction Kinetics, Analysis of Enzyme Reactor Performance, and Mathematics for Enzyme Reaction Kinetics and Reactor Performance. Such a philosophy is primarily intended to help the prospective learner evolve in their knowledge acquisition steps – although it also constitutes standard material suitable for instructors; and allows the reader to first grasp the supporting concepts before proceeding to a deeper and deeper insight on the detailed kinetics of reactions brought about by generic enzymes, and eventually extending said concepts to overall reactor operation using enzymes. Three levels of description are indeed apparent and sequentially considered in the core of this book collection: macroscopic, or ideal; microscopic, or nonideal in terms of hydrodynamics (including homogeneous, nontrivial flow patterns) and mass transfer (including multiphasic systems); and submicroscopic, or nonideal in terms of mixing. The quality of the approximation increases in this order – but so does the complexity of the mathematical models entertained, and the thoroughness of the experimental data required thereby.

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