Octanol-Water Partition Coefficients

Octanol-Water Partition Coefficients
Author: James M. Sangster
Publisher: John Wiley & Sons
Total Pages: 182
Release: 1997-05-28
Genre: Science
ISBN: 9780471973973

Das Verhalten gelöster Stoffe in Octanol-Wasser-Gemischen ähnelt sehr dem im lebenden Gewebe; daher zieht man den Octanol-Wasser-Verteilungskoeffizienten logK(OW) beispielsweise zur Untersuchung des Schicksals organischer Schadstoffe in Umwelt und Nahrungsketten heran. Dieses Buch zeigt, wie man exakte Werte von logK(OW) durch Experimente und Berechnungen erhält und anwendet und führt in verständlicher Weise in physikochemische Grundlagen ein.

Molecular Theory of Solvation

Molecular Theory of Solvation
Author: F. Hirata
Publisher: Springer Science & Business Media
Total Pages: 366
Release: 2006-04-11
Genre: Science
ISBN: 1402025904

Molecular Theory of Solvation presents the recent progress in the statistical mechanics of molecular liquids applied to the most intriguing problems in chemistry today, including chemical reactions, conformational stability of biomolecules, ion hydration, and electrode-solution interface. The continuum model of "solvation" has played a dominant role in describing chemical processes in solution during the last century. This book discards and replaces it completely with molecular theory taking proper account of chemical specificity of solvent. The main machinery employed here is the reference-interaction-site-model (RISM) theory, which is combined with other tools in theoretical chemistry and physics: the ab initio and density functional theories in quantum chemistry, the generalized Langevin theory, and the molecular simulation techniques. This book will be of benefit to graduate students and industrial scientists who are struggling to find a better way of accounting and/or predicting "solvation" properties.

Thermodynamics, Solubility and Environmental Issues

Thermodynamics, Solubility and Environmental Issues
Author: Trevor Letcher
Publisher: Elsevier
Total Pages: 494
Release: 2007-04-20
Genre: Science
ISBN: 0080481035

Environmental problems are becoming an important aspect of our lives as industries grow apace with populations throughout the world. Thermodynamics, Solubility and Environmental Issues highlights some of the problems and shows how chemistry can help to reduce these them. The unifying theme is Solubility – the most basic and important of thermodynamic properties. This informative book looks at the importance and applications of solubility and thermodynamics, in understanding and in reducing chemical pollution in the environment. Written by experts in their respective fields and representing the latest findings in this very important and broad area. A collection of twenty-five chapters cover a wide range of topics including; mining, polymer manufacture and applications, radioactive wastes, industries in general, agro-chemicals, soil pollution and biology, together with the basic theory and recent developments in the modelling of environmental pollutants. Latest research into solving some of the most important environmental problems Covering new technologies, new chemicals and new processes eg, biodegradable polymers, ionic liquids and green chemistry Contains the basic theories and underlying importance of solubility

Multimedia Environmental Models

Multimedia Environmental Models
Author: Donald Mackay
Publisher: CRC Press
Total Pages: 274
Release: 2001-02-26
Genre: Science
ISBN: 1420032542

Completely revised and updated, Multimedia Environmental Models: The Fugacity Approach, Second Edition continues to provide simple techniques for calculating how chemicals behave in the environment, where they accumulate, how long they persist, and how this leads to human exposure. The book develops, describes, and illustrates the framework and pro

Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Second Edition

Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Second Edition
Author: Donald Mackay
Publisher: CRC Press
Total Pages: 1000
Release: 2006-03-14
Genre: Science
ISBN: 9781566706872

Transport and transformation processes are key for determining how humans and other organisms are exposed to chemicals. These processes are largely controlled by the chemicals’ physical-chemical properties. This new edition of the Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals is a comprehensive series in four volumes that serves as a reference source for environmentally relevant physical-chemical property data of numerous groups of chemical substances. The handbook contains physical-chemical property data from peer-reviewed journals and other valuable sources on over 1200 chemicals of environmental concern. The handbook contains new data on the temperature dependence of selected physical-chemical properties, which allows scientists and engineers to perform better chemical assessments for climatic conditions outside the 20–25-degree range for which property values are generally reported. This second edition of the Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals is an essential reference for university libraries, regulatory agencies, consultants, and industry professionals, particularly those concerned with chemical synthesis, emissions, fate, persistence, long-range transport, bioaccumulation, exposure, and biological effects of chemicals in the environment. This resource is also available on CD-ROM

Exploring QSAR.: Fundamentals and applications in chemistry and biology

Exploring QSAR.: Fundamentals and applications in chemistry and biology
Author: Corwin Hansch
Publisher:
Total Pages: 584
Release: 1995
Genre: Medical
ISBN:

[Volume 2]: This volume contains comprehensive tables of physicochemical parameters (substituent constants and octanol-water log P values) that are necessary for Quantitative Structure-Activity Relationships (QSAR) and qualitative SAR. Almost all of the world's environmental protection agencies require log P values for new industrial chemicals. These values were collected over 25 years by two of the most renowned researchers in the field.

Optimization in HPLC

Optimization in HPLC
Author: Stavros Kromidas
Publisher: John Wiley & Sons
Total Pages: 418
Release: 2021-11-08
Genre: Science
ISBN: 3527347895

Learn to maximize the performance of your HPLC or UHPLC system with this resource from leading experts in the field Optimization in HPLC: Concepts and Strategies delivers tried-and-tested strategies for optimizing the performance of HPLC and UHPLC systems for a wide variety of analytical tasks. The book explains how to optimize the different HPLC operation modes for a range of analyses, including small molecules, chiral substances, and biomolecules. It also shows readers when and how computational tools may be used to optimize performance. The practice-oriented text describes common challenges faced by users and developers of HPLC and UHPLC systems, as well as how those challenges can be overcome. Written for first-time and experienced users of HPLC technology and keeping pace with recent developments in HPLC instrumentation and operation modes, this comprehensive guide leaves few questions unanswered. Readers will also benefit from the inclusion of: A thorough introduction to optimization strategies for different modes and uses of HPLC, including working under regulatory constraints An exploration of computer aided HPLC optimization, including ChromSwordAuto and Fusion QbD A treatment of current challenges for HPLC users in industry as well as large and small analytical service providers Discussions of current challenges for HPLC equipment suppliers Tailor-made for analytical chemists, chromatographers, pharmacologists, toxicologists, and lab technicians, Optimization in HPLC: Concepts and Strategies will also earn a place on the shelves of analytical laboratories in academia and industry who seek a one-stop reference for optimizing the performance of HPLC systems.