Computers in Chemical and Biochemical Research, Volume 1, is the first of multi-volume series that provides updated information on developments in computer-assisted techniques for chemical and biochemical research. Each volume will include a variety of review articles by expert practicing computer-chemists and biochemists, dealing with a wide array of topics. These will range from delineations of design philosophies and of laboratory computer systems to descriptions of special computer hardware developed to solve specific problems. Also included will be articles discussing algorithms, languages, and programming techniques; articles devoted to the more important applications of digital computer methods to specific problems (e.g., Fourier transform spectrometry, stopped-flow kinetics, automated spectrophotometry); and aticles devoted to techniques for training both graduates and undergraduates in laboratory computing. The present text contains seven chapters and begins with a description of an educational program on digital computer instrumentation for the chemistry laboratory. Subsequent chapters cover topics such as multiprocessor systems in laboratory automation; a simple computer system for on-line data collection and manipulation in the biochemical laboratory; Fourier transform spectroscopy; and a small computer system used to collect and process data from three electron spin resonance spectrometers at the University of Oregon.

Computers in Chemical and Biochemical Research, Volume 2, provides a suitable medium permitting communication of important results of workers in computer-assisted chemistry. The present volume complements its predecessor and includes reviews and original articles about a variety of topics not dealt with earlier. The scope of the series is broad and the articles are designed to provide coverage of state-of-the-art advances and to prevent wasteful duplications of effort. The book contains seven chapters and opens with a survey of the field of pattern recognition in chemistry along with past and future directions. This is followed by separate chapters covering an on-line graphics system as a teaching aid in physical chemistry; financial and hardware analysis and specifications of laboratory minicomputer systems; and the use of these principles in the automation of a clinical laboratory. Subsequent chapters deal with the use of new technology in automation of two specific types of experimental apparatus; and computer automation in gas-liquid chromatography.

This comprehensive work shows how to design and develop innovative, optimal and sustainable chemical processes by applying the principles of process systems engineering, leading to integrated sustainable processes with 'green' attributes. Generic systematic methods are employed, supported by intensive use of computer simulation as a powerful tool for mastering the complexity of physical models. New to the second edition are chapters on product design and batch processes with applications in specialty chemicals, process intensification methods for designing compact equipment with high energetic efficiency, plantwide control for managing the key factors affecting the plant dynamics and operation, health, safety and environment issues, as well as sustainability analysis for achieving high environmental performance. All chapters are completely rewritten or have been revised. This new edition is suitable as teaching material for Chemical Process and Product Design courses for graduate MSc students, being compatible with academic requirements world-wide. The inclusion of the newest design methods will be of great value to professional chemical engineers. - Systematic approach to developing innovative and sustainable chemical processes - Presents generic principles of process simulation for analysis, creation and assessment - Emphasis on sustainable development for the future of process industries

Assuming only background knowledge of algebra and elementary calculus, and access to a modern personal computer, Nonlinear Computer Modeling of Chemical and Biochemical Data presents the fundamental basis and procedures of data modeling by computer using nonlinear regression analysis. Bypassing the need for intermediary analytical stages, this method allows for rapid analysis of highly complex processes, thereby enabling reliable information to be extracted from raw experimental data.By far the greater part of the book is devoted to selected applications of computer modeling to various experiments used in chemical and biochemical research. The discussions include a short review of principles and models for each technique, examples of computer modeling for real and theoretical data sets, and examples from the literature specific to each instrumental technique.The book also offers detailed tutorial on how to construct suitable models and a score list of appropriate mathematics software packages.

The Chemical Sciences Roundtable provides a forum for discussing chemically related issues affecting government, industry and government. The goal is to strengthen the chemical sciences by foster communication among all the important stakeholders. At a recent Roundtable meeting, information technology was identified as an issue of increasing importance to all sectors of the chemical enterprise. This book is the result of a workshop convened to explore this topic.

First multi-year cumulation covers six years: 1965-70.