Handbook of Solvents

Handbook of Solvents

Author: Dr. George Wypych
10-ISBN 1-895198-24-0

13-ISBN 978-1-895198-24-9
Pages 1675, Figures 568, Tables 380, References 5184

Announcing the most comprehensive book on solvents
This book was written by a group of experts on various subjects of solvents' use, the fundamental principles governing their application, effect on health and environment, residual solvents in products, their concentration in industrial environments, current regulations, safer substitutes, non-emitting technologies of use, contamination cleanup, personal protection, and the most modern trends in future technology. The authors, who are the members of prestigious universities and industries from around the world, altogether have previously written 47 books and hundreds of papers on the subject and here they give a synthesis of their experiences and opinions on how best to change the global use of solvents in order to obtain benefits of technology and at the same time limit risk and health effects, and more.

The most up-to-date information
All 25 chapters of this book were written between summer of 1999 and spring of 2000 and contain over 5000 references to source literature, enabling the user to find specific information on any subject related to solvents. The text is illustrated by figures and tables which compare in number with multi-volume encyclopedias.

New concept of presentation and retrieval
The book contains a synthesis of a large sample of data and information to reveal fundamental principles which data helped to discover. The actual data on 1141 solvents are in the form of a searchable database on CD-ROM (see page 3 of this information). The database contains 110 categories of data (fields) and almost 40,000 single data entries, making it the largest extant database on solvents.

A book for everybody who deals with chemical materials
In addition to the unquestionable value of the book for those who deal with solvents, the book is invaluable for a much larger audience because many theoretical principles governing complex materials, e.g., polymers, blends, drug delivery systems, etc. were developed on models of simple materials such as solvents. The book contains analysis of over 30 industries. The book also contains information on solvent effect on most parts of the human body, e.g, brain, nervous system, lungs, liver, kidneys, etc., workers, unborn babies, in-door inhabitants, etc. It gives ideas to improve hundreds of technological process and materials on the market. This book contains information useful for readers at any level of previous knowledge and experience because of its comprehensiveness and expertly written, easily understandable text.

Impact changes
The authors of this book have rendered their expert and balanced opinions on how to make effective changes without losing benefits. This is an invaluable reference source which brings together in a single volume all fundamental aspects and the latest advances in solvent technology and products they are used for. This book should not be missed by these who deal with solvents and should be made available in reference sections of university, technical, and public libraries.

The book is divided into 25 chapters. The Introduction discusses the book's contents and the effective use of information. Chapters 2 to 13 contain information on various properties of solvents and solutions. Each chapter in this section of the book is focused on a specific set of solvent properties which determine its choice, effect on properties of solutes and solutions, properties of different groups of solvents and the summary of their applications' effect on health and environment (given in tabulated form), swelling of solids in solvents, solvent diffusion and drying processes, nature of interaction of solvent and solute in solutions, acid-base interactions, effect of solvents on spectral and other electronic properties of solutions, effect of solvents on rheology of solution, aggregation of solutes, permeability, molecular structure, crystallinity, configuration, and conformation of dissolved high molecular weight compounds, methods of application of solvent mixtures to enhance the range of their applicability, and effect of solvents on chemical reactions and reactivity of dissolved substances.

The main emphasis in this part is on comprehensive treatment and ease of information use. The first goal was achieved by the selection of authors who are specialists in individual areas. The second goal was achieved by targeting the intended audience, which includes readers of different specializations who need to understand solvents from various relevant views of their applications and effects. This difficult task was fully embraced by the authors, who used their deep knowledge to write about all the important details with the clarity of non-specialized language. This makes this book unique because it allows all those involved in the area of solvents to understand the disciplines involved in this complex, multi-disciplinary subject. The additional goal was to present a synthesis of existing data for immediate use but leaving specific data to the database on CD-ROM which can handle a large amount of information with ease of retrieval. Chapter 14 discusses solvent use in 31 industries listed on the previous page. The analysis is conducted based on available data and contains information on the types (and frequently amounts) of solvents used and potential problems and solutions. Chapter 15 contains information on all standard methods of solvent testing, with references to many national and international standards. In addition, several new specific methods involved in solvent testing are also discussed in-depth, such as breath monitoring, determination of toxicity, or application of gas chromatography to assess the influence of solvent and drying conditions on crystal texture of pharmaceutical products. Chapter 16 discusses residual solvents in pharmaceutical and other industrial products. Chapter 17 analyzes the environmental impact of solvents, such as their fate and movement in water, soil and air, fate-based management of solvent containing wastes, and ecotoxicological effects. In chapter 18, concentration of solvents in more than 15 industries is discussed, based on results of studies conducted in the authors' extensive research practice, collectively spanning more than 2 decades. This results in a unique set of data, analysis of requirements, methods of testing and available remedies. Regulations legislating solvent use are discussed in detail in chapter 19, but other chapters have many specific references of importance for various industries.

Chapter 20 contains a set of analyses of solvent toxicology. This chapter was written by professors and scientists from major centers who study the effect of solvents on various aspects of human health, immediate reaction to solvent poisoning, and persistence of symptoms of solvent exposure. This is a very unique collection of observations which should be consulted by solvent users not only in industry but also those who inhale solvents emitted from products applied in in-door spaces. Chapter 21 deals with solvent substitution by safer materials. Here emphasis is placed on supercritical solvents, ionic liquids, ionic melts, and alternative dry-cleaning technologies. Solvent recycling, removal from contaminated air, and degradation are discussed by experts in these technologies with regard to research and industry manufacturing equipment for safe methods of processing with solvents in Chapter 22. Chapter 23 discusses details of natural attenuation of various solvents in soils and modern methods of cleaning contaminated soils. The book concludes with Chapter 24, which helps with the selection of gloves, suites and respirators for use with solvents, and Chapter 25, which discusses new trends in solvent use in various industries based on the most current patent literature. Overall, this book provides all the tools required to understand how to select solvents, use them with maximum benefits, and limit adverse effects on health and environment. In addition to specialists, who will be interested in this book, the benefit of this unique ensemble of information should be given to students who will determine the future of technology and the general public, who has right to know all aspects of health, safety and environmental impacts of various technologies today and who should understand as well the balance between the necessity of the proper application of solvents and possible options to limit their effect.

Christian Reichardt, Department of Chemistry, Philipps University, Marburg, Germany
2.1 Solvent effects on chemical systems Estanislao Silla, Arturo Arnau and 2.1 Iñaki Tuñón, Department of Physical Chemistry, University of Valencia, Burjassot (Valencia), Spain
2.1.1 Historical outline
2.1.2 Classification of solute-solvent interactions Electrostatic Polarization Dispersion Repulsion Specific interactions Hydrophobic interactions
2.1.3 Modelling of solvent effects Computer simulations Continuum models Cavity surfaces Supermolecule models Application example: glycine in solution
2.1.4 Thermodynamic and kinetic characteristics of chemical reactions in solution Solvent effects on chemical equilibria Solvent effects on the rate of chemical reactions Example of application: addition of azide anion to tetrafuranosides

2.1.5 Solvent catalytic effects
2.2 Molecular design of solvents Koichiro Nakanishi, Kurashiki Univ. Sci. & the Arts, Okayama, Japan
2.2.1 Molecular design and molecular ensemble design
2.2.2 From prediction to design
2.2.3 Improvement in prediction method
2.2.4 Role of molecular simulation
2.2.5 Model system and paradigm for design Appendix. Predictive equation for the diffusion coefficient in dilute solution
2.3 Basic physical and chemical properties of solvents George Wypych, ChemTec Laboratories, Inc., Toronto, Canada
2.3.1 Molecular weight and molar volume
2.3.2 Boiling and freezing points
2.3.3 Specific gravity
2.3.4 Refractive index
2.3.5 Vapor density and pressure
2.3.6 Solvent volatility
2.3.7 Flash point
2.3.8 Flammability limits
2.3.9 Sources of ignition and autoignition temperature
2.3.10 Heat of combustion (calorific value)
2.3.11 Heat of fusion
2.3.12 Electric conductivity
2.3.13 Dielectric constant (relative permittivity)
2.3.14 Occupational exposure indicators
2.3.15 Odor threshold
2.3.16 Toxicity indicators
2.3.17 Ozone-depletion and creation potential
2.3.18 Oxygen demand
2.3.19 Solubility
2.3.20 Other typical solvent properties and indicators


3.1 Definitions and solvent classification
3.2 Overview of methods of solvent manufacture
3.3 Solvent properties
3.3.1 Hydrocarbons Aliphatic hydrocarbons Aromatic hydrocarbons
3.3.2 Halogenated hydrocarbons
3.3.3 Nitrogen-containing compounds (nitrates, nitriles)
3.3.4 Organic sulfur compounds
3.3.5 Monohydric alcohols
3.3.6 Polyhydric alcohols
3.3.7 Phenols
3.3.8 Aldehydes
3.3.9 Ethers
3.3.10 Glycol ethers
3.3.11 Ketones
3.3.11 Acids
3.3.12 Amines
3.3.13 Esters
3.3.14 Comparative analysis of all solvents
3.4 Terpenes Tilman Hahn, Konrad Botzenhart, Fritz Schweinsberg, Institut fuer Allgemeine Hygiene und Umwelthygiene, University of Tuebingen, Tuebingen, Germany
3.4.1 Definitions and nomenclature
3.4.2 Occurrence
3.4.3 General
3.4.4 Toxicology
3.4.5 Threshold limit values
4.1 Simple solvent characteristics Valery Yu. Senichev, Vasiliy V. Tereshatov, Institute of Technical Chemistry, Ural Branch of Russian Academy of Sciences, Perm, Russia
4.1.1 Solvent power
4.1.2 One-dimensional solubility parameter approach
4.1.3 Multi-dimensional approaches
4.1.4 Hansen's solubility
4.1.5 Three-dimensional dualistic model
4.1.6 Solubility criterion
4.1.7 Solvent system design
4.2 Effect of system variables on solubility Valery Yu. Senichev, Vasiliy V. Tereshatov, Institute of Technical Chemistry, Ural Branch of Russian Academy of Sciences, Perm, Russia
4.2.1 General considerations
4.2.2 Chemical structure
4.2.3 Flexibility of a polymer chain
4.2.4 Crosslinking
4.2.5 Temperature and pressure
4.2.6 Methods of calculation of solubility based on thermodynamic principles

4.3 Polar solvation dynamics: Theory and simulations Abraham Nitzan, School of Chemistry,The Sackler Faculty of Sciences, Tel Aviv University, Tel Aviv, Israel
4.3.1 Introduction
4.3.2 Continuum dielectric theory of solvation dynamics
4.3.3 Linear response theory of solvation dynamics
4.3.4 Numerical simulations of solvation in simple polar solvents: The simulation model
4.3.5 Numerical simulations of solvation in simple polar solvents: Results and discussion
4.3.6 Solvation in complex solvents
4.3.7 Conclusions
4.4 Methods for the measurement of solvent activity of polymer solutions Christian Wohlfarth, Martin-Luther-University Halle-Wittenberg, Institute of Physical Chemistry, Merseburg, Germany
4.4.1 Introduction
4.4.2 Necessary thermodynamic equations
4.4.3 Experimental methods, equipment and data reduction Vapor-liquid equilibrium (VLE) measurements Experimental equipment and procedures for VLE-measurements Primary data reduction Comparison of experimental VLE-methods Other measurement methods Membrane osmometry Light scattering X-ray scattering Neutron scattering Ultracentrifuge Cryoscopy (freezing point depression of the solvent) Liquid-liquid equilibrium (LLE) Swelling equilibrium
4.4.4 Thermodynamic models for the calculation of solvent activities of polymer solutions Models for residual chemical potential and activity coefficient in the liquid phase Fugacity coefficients from equations of state Comparison and conclusions
Appendix 4.4A


5.1 Experimental methods of evaluation and calculation of solubility parameters of polymers and solvents. Solubility parameters data Valery Yu. Senichev, Vasiliy V. Tereshatov, Institute of Technical Chemistry, Ural Branch of Russian Academy of Sciences, Perm, Russia
5.1.1 Experimental evaluation of solubility parameters of liquids Direct methods of evaluation of the evaporation enthalpy Indirect methods of evaluation of evaporation enthalpy Static and quasi-static methods of evaluation of pair pressure Kinetic methods
5.1.2 Methods of experimental evaluation and calculation of solubility parameters of polymers
5.2 Prediction of solubility parameter Nobuyuki Tanaka, Department of Biological and Chemical Engineering Gunma University, Kiryu, Japan
5.2.1 Solubility parameter of polymers
5.2.2 Glass transition in polymers Glass transition enthalpy Cp jump at the glass transition
5.2.3 Prediction from thermal transition enthalpies
5.3 Methods of calculation of solubility parameters of solvents and polymers Valery Yu. Senichev, Vasiliy V. Tereshatov, Institute of Technical Chemistry, Ural Branch of Russian Academy of Sciences, Perm, Russia,
5.4 Mixed solvents, a way to change the polymer solubility Ligia Gargallo and Deodato Radic, Facultad de Quimica Pontificia Universidad Católica de Chile, Santiago, Chile
5.4.1 Introduction
5.4.2 Solubility-cosolvency phenomenon
5.4.3 New cosolvents effects. Solubility behavior
5.4.4 Thermodynamical description of ternary systems. Association equilibria theory of preferential adsorption
5.4.5 Polymer structure of the polymer dependence of preferential adsorption. polymer molecular weight and tacticity dependence of preferential adsorption
5.5 The phenomenological theory of solvent effects in mixed solvent systems Kenneth A. Connors, School of Pharmacy, University of Wisconsin, Madison, USA
5.5.1 Introduction
5.5.2 Theory Principle The intersolute effect: solute-solute interactions The solvation effect: solute-solvent interaction The general medium effect: solvent-solvent interactions The total solvent effect
5.5.3 Applications Solubility Surface tension Electronic absorption spectra Complex formation Chemical kinetics Liquid chromatography
5.5.4 Interpretations Ambiguities and anomalies A modified derivation Interpretation of parameter estimates Confounding effects Solute-solute interactions Coupling of general medium and solvation effects The cavity surface area The role of interfacial tension
5.5.5 Notes and References
6.1 Modern views on kinetics of swelling of crosslinked elastomers in solvents E. Ya. Denisyuk, Institute of Continuous Media Mechanics; V. V. Tereshatov Institute of Technical Chemistry, Ural Branch of Russian Academy of Sciences, Perm, Russia
6.1.1 Introduction
6.1.2 Formulation of swelling for a plane elastomer layer
6.1.3 Diffusion kinetics of plane layer swelling
6.1.4 Experimental study of elastomer swelling kinetics
6.2 Equilibrium swelling in binary solvents Vasiliy V. Tereshatov, Valery Yu. Senichev, Institute of Technical Chemistry; E. Ya. Denisyuk, Institute of Continuous Media Mechanics, Ural Branch of Russian Academy of Sciences, Perm, Russia
6.3 Swelling data on crosslinked polymers in solvents Vasiliy V. Tereshatov, Valery Yu. Senichev, Institute of Technical Chemistry, Ural Branch of Russian Academy of Sciences, Perm, Russia
6.4 Influence of structure on equilibrium swelling Vasiliy V. Tereshatov, Valery Yu. Senichev, Institute of Technical Chemistry, Ural Branch of Russian Academy of Sciences, Perm, Russia
7.1 Introduction to diffusion, swelling, and drying George Wypych, ChemTec Laboratories, Inc., Toronto, Canada
7.1.1 Diffusion
7.1.2 Swelling
7.1.3 Drying References
7.2 Bubbles dynamics and boiling of polymeric solutions Semyon Levitsky, Negev Academic College of Engineering, Israel; Zinoviy Shulman, A.V. Luikov Heat and Mass Transfer Institute, Belarus
7.2.1 Rheology of polymeric solutions and bubble dynamics Rheological characterization of solutions of polymers Dynamic interaction of bubbles with polymeric liquid
7.2.2 Thermal growth of bubbles in superheated solutions of polymers
7.2.3 Boiling of macromolecular liquids
7.3 Drying of coated film Seung Su Kim, SKC Co., Ltd., Chon-an City, Korea; Jae Chun Hyun, Department of Chemical Engineering, Korea University, Seoul, Korea
7.3.1 Introduction
7.3.2 Theory for the drying Simultaneous heat and mass transfer Liquid-vapor equilibrium Heat and mass transfer coefficient Prediction of drying rate of coating Drying regimes: constant drying rate period (CDRP) and falling drying rate period (FDRP)
7.3.3 Measurement of the drying rate of coated film Thermo-gravimetric analysis Rapid scanning FT-IR spectrometer analysis High-airflow drying experiment using flame ionization detector (FID) total hydrocarbon analyzer Measurement of drying rate in the production scale dryer
7.3.4 Miscellaneous Drying of coated film with phase separation Drying defects Internal stress induced defects Surface tension driven defects Defects caused by air motion and others Control of lower explosive level (LEL) in a multiple zone dryer
Jacopo Tomasi, Benedetta Mennucci, Chiara Cappelli, Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Italy
8.1 Solvents and solutions as assemblies of interacting molecules
8.2 Basic simplifications of the quantum model
8.3 Cluster expansion
8.4 Two-body interaction energy: the dimer
8.4.1 Decomposition of the interaction energy of a dimer: variational approach The electrostatic term The induction term The exchange term The charge transfer term The dispersion term The decomposition of the interaction energy through a variational approach: a summary
8.4.2 Basis set superposition error and counterpoise corrections
8.4.3 Perturbation theory approach
8.4.4 Modeling of the separate components The electrostatic term The induction term The dispersion term The exchange (or repulsion) term The other terms A conclusive view
8.4.5 The relaxation of the rigid monomer constraint
8.5 Three- and many-body interactions Screening many-body effects Effective interaction potentials
8.6 The variety of interaction potentials
8.7 Theoretical and computing modeling of pure liquids and solutions
8.7.1 Physical models Integral equation methods Perturbation theories
8.7.2 Computer simulations Car-Parrinello direct QM simulation Semi-classical simulations Molecular dynamics Monte Carlo QM/MM
8.7.3 Continuum models QM-BE methods: the effective Hamiltonian
8.8 Practical applications of modeling Dielectric constant Thermodynamical properties Compressibilities Relaxation times and diffusion coefficients Shear viscosity
8.9 Liquid surfaces
8.9.1 The basic types of liquid surfaces
8.9.2 Systems with a large surface/bulk ratio
8.9.3 Studies on interfaces using interaction potentials

Y. Y. Fialkov, V. L. Chumak, Department of Chemistry, National Technical University of Ukraine, Kiev, Ukraine
9.1 Introduction
9.2 Chemical interaction between components in mixed solvents
9.2.1 Processes of homomolecular association
9.2.2 Conformic and tautomeric equilibrium. Reactions of isomerization
9.2.3 Heteromolecular association
9.2.4 Heteromolecular associate ionization
9.2.5 Electrolytic dissociation (ionic association)
9.2.6 Reactions of composition
9.2.7 Exchange interaction
9.2.8 Amphoterism of mixed solvent components Amphoterism of hydrogen acids Amphoterism of L-acids Amphoterism in systems H-acid-L-acid Amphoterism in binary solutions amine-amine
9.3 Physical properties of mixed solvents
9.3.1 The methods of expression of mixed solvent compositions Permittivity Viscosity Density, molar volume Electrical conductivity
9.3.2 Physical characteristics of the mixed solvents with chemical interaction between components Permittivity Viscosity Density, molar volume Conductivity
9.3.3 Chemical properties of mixed solvents Autoprotolysis constants Solvating ability Donor-acceptor properties
9.4 Mixed solvent influence on the chemical equilibrium
9.4.1 General considerations
9.4.2 Mixed solvent effect on the position of equilibrium of homomolecular association process
9.4.3 Mixed solvent influence on the conformer equilibrium
9.4.4 Solvent effect on the process of heteromolecular association Selective solvation. Resolvation
9.4.5 Mixed solvent effect on the ion association process
9.4.6 Solvent effect on exchange interaction processes Systems with non-associated reagents Systems with one associated participant of equilibrium Systems with two associated participants of equilibrium
9.4.7 Mixed solvent effect on processes of complex formation
9.5 The mixed solvent effect on the chemical equilibrium thermodynamics

10.1 General concept of acid-base interactions George Wypych, ChemTec Laboratories, Inc., Toronto, Canada
10.2 Effect of polymer/solvent acid-base interactions: relevance to the aggregation of PMMA S. Bistac, M. Brogly, Institut de Chimie des Surfaces et Interfaces, ICSI - CNRS, Mulhouse, France
10.2.1 Recent concepts in acid-base interactions The nature of acid-base molecular interactions The original Lewis definitions Molecular Orbital (MO) approach to acid-base reactions The case of hydrogen bonding Quantitative determination of acid-base interaction strength Perturbation theory Hard-Soft Acid-Base (HSAB) principle Density functional theory Effect of ionocity and covalency: Drago's concept Effect of amphotericity of acid-base interaction: Gutmann's numbers Spectroscopic measurements: Fowkes' approach
10.2.2 Effect of polymer/solvent interactions on aggregation of stereoregular PMMA Aggregation of stereoregular PMMA Relation between the complexing power of solvents and their acid-base properties
10.2.3 Influence of the nature of the solvent on the and -relaxations of conventional PMMA Introduction Dielectric spectroscopy results
10.2.4 Concluding remarks References10.3 Solvent effects based on pure solvent scales Javier Catalán, Departamento de Química Fisíca Aplicada, Universidad Autónoma de Madrid, Madrid, Spain Introduction 10.3.1 The solvent effect and its dissection into general and specific contributions
10.3.2 Characterization of a molecular environment with the aid of the probe/homomorph model
10.3.3 Single-parameter solvent scales: the Y, G, ET(30), , Z, R, , and S' scales The solvent ionizing power scale or Y scale The G values of Allerhand and Schleyer The ET(30) scale of Dimroth and Reichardt The Py scale of Dong and Winnick The Z scale of Kosower The R scale of Brooker The scale of Dubois and Bienvenue The S' scale of Drago
10.3.4 Solvent polarity: the SPP scale
10.3.5 Solvent basicity: the SB scale
10.3.6 Solvent acidity: the SA scale
10.3.7 Applications of the pure SPP, SA and SB scales Other reported solvents scales Treatment of the solvent effect Spectroscopy Kinetics Electrochemistry Thermodynamics Mixtures of solvents. Understanding the preferential solvation model
10.4 Acid-base equilibria in ionic solvents (ionic melts) Victor Cherginets, Institute for Single Crystals, Kharkov, Ukraine
10.4.1 Acid-base definitions used for the description of donor-acceptor interactions in ionic media The Lewis definition The Lux-Flood definition
10.4.2 The features of ionic melts as media for acid-base interactions Oxygen-less media Oxygen-containing melts The effect of the ionic solvent composition on acid-base equilibria
10.4.3 Methods for estimations of acidities of solutions based on ionic melts
10.4.4 On studies of the homogeneous acid-base reactions in ionic melts Nitrate melts Sulphate melts Silicate melts The equimolar mixture KCl-NaCl Other alkaline halide melts
10.4.5 Reactions of melts with gaseous acids and bases High-temperature hydrolysis of molten halides The processes of removal of oxide admixtures from melts

11.1 Theoretical treatment of solvent effects on electronic and vibrational spectra of compounds in condensed media
Mati Karelson, Department of Chemistry, University of Tartu, Tartu, Estonia
11.1.1 Introduction
11.1.2 Theoretical treatment of solvent cavity effects on electronic-vibrational spectra of molecules
11.1.3 Theoretical treatment of solvent electrostatic polarization on electronic-vibrational spectra of molecules
11.1.4 Theoretical treatment of solvent dispersion effects on electronic-vibrational spectra of molecules
11.1.5 Supermolecule approach to the intermolecular interactions in condensed media
11.2 Dielectric solvent effects on the intensity of light absorption and the radiative rate constant
Tai-ichi Shibuya, Faculty of Textile Science and Technology, Shinshu University, Ueda, Japan
11.2.1 The Chako formula or the Lorentz-Lorenz correction
11.2.2 The generalized local-field factor for the ellipsoidal cavity
11.2.3 Dielectric solvent effect on the radiative rate constant
12.1 Rheological properties, aggregation, permeability, molecular structure, crystallinity, and other properties affected by solvents
George Wypych, ChemTec Laboratories, Inc., Toronto, Canada
12.1.1 Rheological properties
12.1.2 Aggregation
12.1.3 Permeability
12.1.4 Molecular structure and crystallinity
12.1.5 Other properties affected by solvents
12.2 Chain conformations of polysaccharides in different solvents
Ranieri Urbani and Attilio Cesaro, Department of Biochemistry, Biophysics and Macromolecular Chemistry, University of Trieste, Italy
12.2.1 Introduction
12.2.2 Structure and conformation of polysaccharides in solution Chemical structure Solution chain conformation
12.2.3 Experimental evidence of solvent effect on oligosaccharide conformational equilibria
12.2.4 Theoretical evaluation of solvent effect on conformational equilibria of sugars Classical molecular mechanics methods Molecular dynamic methods
12.2.5 Solvent effect on chain dimensions and conformations of polysaccharides
12.2.6 Solvent effect on charged polysaccharides and the polyelectrolyte model Experimental behavior of polysaccharides polyelectrolytes The Haug and Smidsrød parameter: description of the salt effect on the chain dimension The statistical thermodynamic counterion-condensation theory of Manning Conformational calculations of charged polysaccharides
16.1 Residual solvents in various products
George Wypych, ChemTec Laboratories, Inc., Toronto, Canada
16.2 Residual solvents in pharmaceutical substances
Michel Bauer, International Analytical Department, Sanofi-Synthelabo, Toulouse, France; Christine Barthélémy, Laboratoire de Pharmacie Galenique et Biopharmacie, Faculte des Sciences Pharmaceutiques et Biologiques, Universite de Lille 2, Lille, France
16.2.1 Introduction
16.2.2 Why should we look for RS? Modifying the acceptability of the drug product Modifying the physico-chemical properties of drug su