COSMO RS FROM QUANTUM CHEMISTRY TO FLUID PHASE THERMODYNAMICS AND DRUG DESIGN

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Cosmo Rs

Author : Andreas Klamt
ISBN : 0080455530
Genre : Technology & Engineering
File Size : 39.86 MB
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The COSMO-RS technique is a novel method for predicting the thermodynamic properties of pure and mixed fluids which are important in many areas, ranging from chemical engineering to drug design. COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design is about this novel technology, which has recently proven to be the most reliable and efficient tool for the prediction of vapour-liquid equilibria. In contrast to group contribution methods, which depend on an extremely large number of experimental data, COSMO-RS calculates the thermodynamic data from molecular surface polarity distributions, resulting from quantum chemical calculations of the individual compounds in the mixture. In this book, the author cleverly combines a vivid overview of the partly demanding theoretical steps with a deeper analysis of their scientific background and justification. Aimed at theoretical chemists, computational chemists, physical chemists, chemical engineers, thermodynamicists as well as students,academic and industrial experts, COSMO-RS, From Quantum Chemistry to Fluid Phase Thermodynamics and Drug Design provides a novel viewpoint to anyone looking to gain more insight into the theory and potential of the unique method, COSMO-RS. The only book currently available on COSMO-RS technique Provides a novel viewpoint for the scientific understanding and for the practical quantitative treatment of fluid phase thermodynamics Includes illustrative examples of the COSMOtherm program
Category: Technology & Engineering

Chemical Engineering In The Pharmaceutical Industry Active Pharmaceutical Ingredients

Author : David J. am Ende
ISBN : 9781119285861
Genre : Technology & Engineering
File Size : 67.93 MB
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A guide to the development and manufacturing of pharmaceutical products written for professionals in the industry, revised second edition The revised and updated second edition of Chemical Engineering in the Pharmaceutical Industry is a practical book that highlights chemistry and chemical engineering. The book’s regulatory quality strategies target the development and manufacturing of pharmaceutically active ingredients of pharmaceutical products. The expanded second edition contains revised content with many new case studies and additional example calculations that are of interest to chemical engineers. The 2nd Edition is divided into two separate books: 1) Active Pharmaceutical Ingredients (API’s) and 2) Drug Product Design, Development and Modeling. The active pharmaceutical ingredients book puts the focus on the chemistry, chemical engineering, and unit operations specific to development and manufacturing of the active ingredients of the pharmaceutical product. The drug substance operations section includes information on chemical reactions, mixing, distillations, extractions, crystallizations, filtration, drying, and wet and dry milling. In addition, the book includes many applications of process modeling and modern software tools that are geared toward batch-scale and continuous drug substance pharmaceutical operations. This updated second edition: • Contains 30new chapters or revised chapters specific to API, covering topics including: manufacturing quality by design, computational approaches, continuous manufacturing, crystallization and final form, process safety • Expanded topics of scale-up, continuous processing, applications of thermodynamics and thermodynamic modeling, filtration and drying • Presents updated and expanded example calculations • Includes contributions from noted experts in the field Written for pharmaceutical engineers, chemical engineers, undergraduate and graduate students, and professionals in the field of pharmaceutical sciences and manufacturing, the second edition of Chemical Engineering in the Pharmaceutical Industry focuses on the development and chemical engineering as well as operations specific to the design, formulation, and manufacture of drug substance and products.
Category: Technology & Engineering

Green Solvents

Author :
ISBN : 9783527688524
Genre : Science
File Size : 82.29 MB
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The shift towards being as environmentally-friendly as possible has resulted in the need for this important volume on the role of ionic liquids in green chemistry. Edited by Peter Wasserscheid, one of the pioneers of ionic liquid research, and Annegret Stark, this is an essential resource for anyone wishing to gain an understanding of the world of green chemistry, as well as for chemists, environmental agencies and chemical engineers.
Category: Science

Computational Pharmaceutical Solid State Chemistry

Author : Yuriy A. Abramov
ISBN : 9781119229179
Genre : Science
File Size : 72.66 MB
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This book is the first to combine computational material science and modeling of molecular solid states for pharmaceutical industry applications. • Provides descriptive and applied state-of-the-art computational approaches and workflows to guide pharmaceutical solid state chemistry experiments and to support/troubleshoot API solid state selection • Includes real industrial case examples related to application of modeling methods in problem solving • Useful as a supplementary reference/text for undergraduate, graduate and postgraduate students in computational chemistry, pharmaceutical and biotech sciences, and materials science
Category: Science

Heat Pumps In Chemical Process Industry

Author : Anton A. Kiss
ISBN : 9781498719018
Genre : Science
File Size : 25.70 MB
Format : PDF, Docs
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As the chemical process industry is among the most energy demanding sectors, chemical engineers are endeavoring to contribute towards sustainable future. Due to the limitation of fossil fuels, the need for energy independence, as well as the environmental problem of the greenhouse gas effect, there is a large increasing interest in the research and development of chemical processes that require less capital investment and reduced operating costs and lead to high eco-efficiency. The use of heat pumps is a hot topic due to many advantages, such as low energy requirements as well as an increasing number of industrial applications. Therefore, in the current book, authors are focusing on use of heat pumps in the chemical industry, providing an overview of heat pump technology as applied in the chemical process industry, covering both theoretical and practical aspects: working principle, applied thermodynamics, theoretical background, numerical examples and case studies, as well as practical applications. The worked-out examples have been included to instruct students, engineers and process designers about how to design various heat pumps used in the industry. Reader friendly resources namely relevant equations, diagrams, figures and references that reflect the current and upcoming heat pump technologies, will be of great help to all readers from the chemical and petrochemical industry, biorefineries and other related areas.
Category: Science

Kirk Othmer Encyclopedia Of Chemical Technology

Author : Jacqueline I. Kroschwitz
ISBN : 0471484989
Genre : Science
File Size : 22.99 MB
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Presents a wide scope of articles on chemical substances, properties, manufacturing, and uses; on industrial processes, unit operations in chemical engineering; and on fundamentals and scientific subjects related to the field. Describes established technology along with cutting edge topics of interest in the wide field of chemical technology.
Category: Science

Perry S Chemical Engineers Handbook 9th Edition

Author : Don W. Green
ISBN : 9780071834094
Genre : Technology & Engineering
File Size : 20.89 MB
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Up-to-Date Coverage of All Chemical Engineering Topics―from the Fundamentals to the State of the Art Now in its 85th Anniversary Edition, this industry-standard resource has equipped generations of engineers and chemists with vital information, data, and insights. Thoroughly revised to reflect the latest technological advances and processes, Perry's Chemical Engineers' Handbook, Ninth Edition, provides unsurpassed coverage of every aspect of chemical engineering. You will get comprehensive details on chemical processes, reactor modeling, biological processes, biochemical and membrane separation, process and chemical plant safety, and much more. This fully updated edition covers: Unit Conversion Factors and Symbols • Physical and Chemical Data including Prediction and Correlation of Physical Properties • Mathematics including Differential and Integral Calculus, Statistics , Optimization • Thermodynamics • Heat and Mass Transfer • Fluid and Particle Dynamics *Reaction Kinetics • Process Control and Instrumentation• Process Economics • Transport and Storage of Fluids • Heat Transfer Operations and Equipment • Psychrometry, Evaporative Cooling, and Solids Drying • Distillation • Gas Absorption and Gas-Liquid System Design • Liquid-Liquid Extraction Operations and Equipment • Adsorption and Ion Exchange • Gas-Solid Operations and Equipment • Liquid-Solid Operations and Equipment • Solid-Solid Operations and Equipment •Chemical Reactors • Bio-based Reactions and Processing • Waste Management including Air ,Wastewater and Solid Waste Management* Process Safety including Inherently Safer Design • Energy Resources, Conversion and Utilization* Materials of Construction
Category: Technology & Engineering