Description
Crc Press Chemical Property Estimation Theory And Application by Baum Edward J
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.Table of ContentsEstimating the Properties of Chemicals: The Foundation of Environmental ResearchIntroductionWhy We Estimate Chemical PropertiesPredicting Environmental Partitioning and TransportPrganization of the BookUnits of MeasureConcepts and Theory of Property EstimationIntroductionQuantitative Property-Property RelationshipsQuantitative Structure-Property RelationshipsReferencesBoiling Point and Melting PointIntroductionMethods of Estimating Normal Boiling PointMethods of Estimating Melting PointDensity and Molar VolumeIntroductionEstimation MethodsSensitivity to Environmental Parameters and Method ErrorReferencesSurface Tension and ParachorIntroductionEstimationSensitivity to Environmental Parameters and Method ErrorReferencesVapor PressureIntroductionA Vapor Pressure ModelMethods of Estimating Saturation Vapor PressureVapor Pressure and Air/Liquid Partitioning of Chemicals in MixturesSensitivity to Environmental Parameters and Method ErrorReferencesAqueous Solubility and Activity CoefficientIntroductionBackgroundMethods of Estimating Aqueous SolubilitySensitivity to Environmental Parameters and Method ErrorReferencesAir-Water Partition CoefficientIntroductionBackgroundEstimation MethodsSensitivity to Environmental Parameters and Method ErrorReferencesOctanol-Water Partition CoefficientIntroductionBackgroundEstimation MethodsSensitivity to Environmental Parameters and Method ErrorReferencesSoil and Sediment Sorption CoefficientIntroductionBackgroundEstimation MethodsSensitivity to Environmental Parameters and Method ErrorReferencesBioconcentration Factor and Related ParametersIntroductionA Bioconcentration ModelMethods of Estimating Fish Bioconcentration FactorsMethods of Estimating Bioaccumulation Factors in Cattle and Dairy ProductsMethods of Estimating Bioaccumulation Factors in Plants and VegetablesReferencesDiffusivityIntroductionEstimation MethodsReferencesVolatilization from SoilsIntroductionChemical Transport Between Soil and AirMethods of Estimating the Rate of Volatilization from SoilModel Sensitivity and Method ErrorReferencesAppendices