عنوان

Chemical Property Estimation :

1351461443

1351461451

9781351461443

9781351461450

0873719387

9780873719384

Chemical Property Estimation :

[Book]

Theory and Application /

Edward J. Baum.

Boca Raton, FL :

CRC Press,

2018.

1 online resource

Includes bibliographical references and index.

Cover; Half Title; Title Page; Copyright Page; Preface; About the Author; Dedication; Table of Contents; 1: Estimating the Properties of Chemicals: The Foundation of Environmental Research; 1.1 Introduction; 1.2 Why We Estimate Chemical Properties; 1.3 Predicting Environmental Partitioning and Transport; 1.4 Organization of the Book; 1.5 Units of Measure; References; 2: Concepts and Theory of Chemical Property Estimation; 2.1 Introduction; 2.2 Quantitative Property-Property Relationships; 2.2.1 Fundamental Models; 2.2.2 Empirical Models; 2.2.3 Semi-Empirical Models

(2) Fishtine's Method6.3.3 Other Useful Methods; 6.4 Vapor Pressure and Air/Liquid Partitioning of Chemicals in Mixtures; 6.5 Sensitivity to Environmental Parameters and Method Error; References; 7: Aqueous Solubility and Activity Coefficient; 7.1 lntroduction; 7.2 Background; 7.3 Methods of Estimating Aqueous Solubility; 7.3.1 Group-Contribution Methods; (l) Klopman et al.'s Method; (2) Kuhne et al.'s Method; 7.3.2 Quantitative Solubility-Kow Relationships; 7.3.3 Quantitative Aqueous Solubility-Activity Coefficient Relationships; (1) Yalkowsky's Method; (2) AQUAFAC Method

(3) Kan and Tomson's Method(4) UNIFAC Calculation; 7.3.4 Quantitative Structure-Solubility Relationships; 7.3.5 Hybrid Models; 7.4 Sensitivity to Environmental Parameters and Method Error; References; 8: Air-Water Partition Coefficient; 8.1 Introduction; 8.2 Background; 8.3 Estimation Methods; 8.3.1 Quantitative Property-KAw Relationships; 8.3.2 Quantitative Structure-KAw Relationships; 8.3.3 Group Contribution Methods; 8.4 Sensitivity to Environmental Parameters and Method Error; References; 9: Octanol-Water Partition Coefficient; 9.1 Introduction; 9.2 Background; 9.3 Estimation Methods

2.3 Quantitative Structure-Property Relationships2.3.1 Fundamental Relationships; 2.3.2 Fragment Contributions and Structural Factors; 2.3.3 Topological Indices; References; 3: Boiling Point and Melting Point; 3.1 Introduction; 3.2 Methods of Estimating Normal Boiling Point; 3.2.1 Joback and Reid's Method; 3.2.2 Other Methods; 3.2.3 Sensitivity to Environmental Parameters; 3.3 Methods of Estimating Melting Point; 3.3.1 Joback and Reid's Method; 3.3.2 Other Methods; References; 4: Density and Molar Volume; 4.1 Introduction; 4.2 Estimation Methods; 4.2.1 Girolami's Method; 4.2.2 Grain's Method

4.2.3 Schroeder's Method4.2.4 Constantinou et a1.'s Method; 4.2.5 Immirzi and Perini's Method; 4.3 Sensitivity to Environmental Parameters and Method Error; References; 5: Surface Tension and Parachor; 5.1 Introduction; 5.2 Estimation Methods; 5.2.1 Sugden's Method; 5.2.2 McGowan's Method; 5.3 Sensitivity to Environmental Parameters and Method Error; References; 6: Vapor Pressure; 6.1 Introduction; 6.2 A Vapor Pressure Model; 6.3 Methods of Estimating Saturation Vapor Pressure; 6.3.1 Nonpolar Hydrocarbons; 6.3.2 Polar and Hydrogen-Bonded Hydrocarbons; (I) Vetere's Method

0

8

8

8

8

Our world is widely contaminated with damaging chemicals, and companies create thousands of new, potentially dangerous chemicals each year. Due to the difficulty and expense of obtaining accurate measurements and the unreliability of reported values, we know surprisingly little about the properties of these contaminants. Determining the properties of chemicals is critical to judging their impact on environmental quality and in making decisions about emission rates, clean-up, and other important public health issues. Chemical Property Estimation describes modern methods of estimating chemical properties, methods which cost much less than traditional laboratory techniques and are sufficiently accurate for most environmental applications. Estimation methods are used to screen chemicals for testing, design monitoring and analysis methods, design clean-up procedures, and verify experimental measurements. The book discusses key methods for estimating chemical properties and considers their relative strengths and weaknesses. Several chapters are devoted to the partitioning of chemicals between air, water, soil, and biota; and properties such as solubility, vapor pressure, and chemical transport. Each chapter begins with a review of relevant theory and background information explaining the applications and limitations of each method. Sample calculations and practical advice on how and when to use each method are included as well. Each method is evaluated for accuracy and reliability. Computer software, databases, and internet resources are evaluated, as well as other supplementary material, such as fundamental constants, units of measure, and more.

Ingram Content Group

9781351461443

Chemical Property Estimation.

9780873719384

Pollutants-- Analysis.

Pollutants-- Analysis.

TECHNOLOGY & ENGINEERING-- Environmental-- General.

X100

X500

TEC-- 010000

TQ

Baum, Edward J.

20200822180252.0

pn

[Book]

Y