Handbook of Aqueous Electrolyte Thermodynamics

Name: Handbook of Aqueous Electrolyte Thermodynamics | Theory & Application
Brand: Wiley-AIChE
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Theory & Application

Joseph F. Zemaitis Diane M. Clark Marshall Rafal Noel C. Scrivner(Autor*in)

Wiley-AIChE (Verlag)

Erschienen am 29. September 2010

878 Seiten

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978-0-470-93840-9 (ISBN)

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Inhalt

Intro
Handbook of Aqueous Electrolyte Thermodynamics Theory & Application
TABLE OF CONTENTS
I INTRODUCTION
II THERMODYNAMICS OF SOLUTIONS
Basic Thermodynamic Functions
Solutions - Basic Definitions and Concepts
Equilibrium - Necessary Conditions
Activities, Activity Coefficients and Standard States
III EQUILIBRIUM CONSTANTS
Ionic and/or Reaction Equilibrium in Aqueous Solutions
Solubility Equilibria Between Crystals and Saturated Solutions
Vapor-Liquid Equilibria in Aqueous Solutions
Temperature Effects on the Equilibrium Constant
Estimating Temperature Effects on Heat Capacity and Other Thermodynamic Properties
Equilibrium Constants from Tabulated Data
Pressure Effects on the Equilibrium Constant
Appendix 3.1 - Criss and Cobble Parameters
IV ACTIVITY COEFFICIENTS OF SINGLE STRONG ELECTROLYTES
History
Limitations and Improvements to the Debye-Huckel Limiting Law
Further Refinements
Bromley's Method
Meissner's Method
Pitzer's Method
Chen's Method
Short Range Interaction Model
Long Range Interaction Model
Temperature Effects
Bromley's Method
Meissner's Method
Pitzer's Method
Chen's Method
Application
Bromley's Method
Meissner's Method
Pitzer's Method
Chen's Method
NBS Smoothed Experimental Data
Test Cases:
HCl
KCl
KOH
NaCl
NaOH
CaCl2
Na2SO4
MgSO4
Bromley's Extended Equation
MgSO4 Test Case
Comparison of Temperature Effect Methods
Bromley
Meissner
Pitzer and Chen
Experimental Data
Test Cases:
HCl at 50° Celsius
KCl at 80° Celsius
KOH at 80° Celsius
NaCl at 100 and 300° Celsius
NaOH at 35° Celsius
CaCl2 at 108.85 and 201.85° Celsius
Na2SO4 at 80° Celsius
MgSO4 at 80° Celsius
Appendix 4.1 - Values for Guggenheim's ß Parameter
Table 1: ß Values for Uni-univalent Electrolytes
Table 2: ß and B Values of Bi-univalent and Uni-bivalent Electrolytes from Freezing Points
Methods for Calculating ß
Appendix 4.2 - Bromley Interaction Parameters
Table 1: B Values at 25°C Determined by the Method of Least Squares on Log ? to I=6.0 (or less if limited data)
Table 2: Individual Ion Values of B and d in Aqueous Solutions at 25°C
Table 3: Bivalent Metal Sulfates at 25°C
Appendix 4.3 - Meissner Parameters
Table: Average Values of Parameter q in Equation (4.46) for Selected Electrolytes
Appendix 4.4 - Pitzer Parameters
Table 1: Inorganic Acids, Bases and Salts of 1-1 Type
Table 2: Salts of Carboxylic Acids (1-1 Type)
Table 3: Tetraalkylammonium Halides
Table 4: Sulfonic Acids and Salts (1-1 Type)
Table 5: Additional 1-1 Type Organic Salts
Table 6: Inorganic Compounds of 2-1 Type
Table 7: Organic Electrolytes of 2-1 Type
Table 8: 3-1 Electrolytes
Table 9: 4-1 Electrolytes
Table 10: 5-1 Electrolytes
Table 11: 2-2 Electrolytes
Appendix 4.5 - Pitzer Parameter Derivatives
Table 1: Temperature Derivatives of Parameters for 1-1 Electrolytes Evaluated from Calorimetric Data
Table 2: Temperature Derivatives of Parameters for 2-1 and 1-2 Electrolytes Evaluated from Calorimetric Data
Table 3: Temperature Derivatives of Parameters for 3-1 and 2-2 Electrolytes from Calorimetric Parameters
Appendix 4.6 - Chen Parameters
Table: t Values Fit for Molality Mean Ionic Activity Coefficient Data of Aqueous Electrolytes at 298.15 K
V ACTIVITY COEFFICIENTS OF MULTICOMPONENT STRONG ELECTROLYTES
Guggenheim's Method for Multicomponent Solutions
Bromley's Method for Multicomponent Solutions
Activity Coefficients of Trace Components
Meissner's Method for Multicomponent Solutions
Pitzer's Method for Multicomponent Solutions
Chen's Method for Multicomponent Solutions
Application
Guggenheim's Method
Bromley's Method
Meissner's Method
Pitzer's Method
Water Activities
Bromley's Water Activity
Meissner's Water Activity
Pitzer's Water Activity
Phase Diagram Calculations
Basic flow of the testing program
Program block descriptions
H2O - NaCl - KCl
H2O - NaCl - HCl
H2O - NaCl - NaOH
H2O - KCl - HCl
H2O - NaCl - CaCl2
H2O - NaCl - MgCl2
H2O - NaCl - Na2SO4
H2O - KCl - CaCl2
H2O - NaOH - Na2SO4
H2O - NaCl - CaSO4
H2O - HCl - CaSO4
H2O - CaCl2 - CaSO4
H2O - Na2SO4-CaSO4
H2O - MgSO4 - CaSO4
Appendix 5.1 - Values for Pitzer's Ø and ? Parameters
Table 1: Parameters for mixed electrolytes with virial coefficient equations (at 25°C)
Table 2: Parameters for the virial coefficient equations at 25°C
Effects of Higher-order Electrostatic Terms
Table 3: Parameters for binary mixtures with a common ion at 25°C
VI ACTIVITY COEFFICIENTS OF STRONGLY COMPLEXING COMPOUNDS
Identification of Complexing Electrolytes
Literature Review
Use of Meissner's Curves
Comparison of Osmotic Coefficients
Phosphoric Acid
Sulfuric Acid
Zinc Chloride
Ferric Chloride
Cuprous Chloride
Calcium Sulfate
Sodium Sulfate
Other Chloride Complexes
Manganous Chloride
Cobalt Chloride
Nickel Chloride
Cupric Chloride
Activity Coefficient Methods
Summary
Appendix 6.1 - Cuprous Chloride
Table 1a: Interaction Parameters
Table 1b: Three Parameter Set
Table 2: Equilibrium Constants and Heats of Reaction
Table 3a: Equilibrium Constants and Changes in Thermodynamic Properties for Formating-of CuCl-2 and CuCl23- from CuCl(s) + nCl- = CuCln-n+1
Table 3b: Equilibrium Constants and Changes in Thermodynamic Properties for Formation of CuCl-2 and CuCl23- from Cu+ + nCl- = CuCln(n-1)
VII ACTIVITY COEFFICIENTS OF WEAK ELECTROLYTES AND MOLECULAR SPECIES
Setschénow Equation
Salting Out Parameter Determination by Randall and Failey
Salting Out Parameter Determination by Long and McDevit
Salting Out Parameter Determination by Other Authors
Pitzer Based Equations
Edwards, Maurer, Newman and Prausnitz Pitzer Based Method
Beutier and Renon's Pitzer Based Method
Chen's Pitzer Based Method
Predictions Based upon Theoretical Equations
Ammonia - Water
Carbon Dioxide - Water
Ammonia - Carbon Dioxide - Water
Sulfur Dioxide - Water
Oxygen - Sodium Chloride - Water
Conclusions
Appendix 7.1 - Salting Out Parameters for Phenol in Aqueous Salt Solutions at 25° Celsius
Appendix 7.2 - Salting Out Parameters from Pawlikowski and Prausnitz for Nonpolar Gases in Common Salt Solutions at Moderate Temperatures
Table 1: Lennard - Jones Parameters for Nonpolar Gases as Reported by Liabastre (S14)
Table 2: Salting Out Parameters for Strong Electrolytes in Equation (7.18) at 25°C
Table 3: Temperature Dependence of the Salting Out Parameters for Equation (7.19)
Table 4: Salting Out Parameters for Individual Ions for Equation (7.20)
Table 5: Temperature Dependence of the Salting Out Constants for Individual Ions
VIII THERMODYNAMIC FUNCTIONS DERIVED FROM ACTIVITY COEFFICIENTS
Density
Binary Density
Multicomponent Density
Strong Electrolytes Which Complex
Weak Electrolytes
Temperature Effects
Illustrative Example
Enthalpy
Heat of Formation at Infinite Dilution
Molecular Species
Ionic Species
Range of Applicability
Excess Enthalpy
Example
IX WORKED EXAMPLES
Model Formulation
Obtaining Coefficients
Model Solution
Specific Examples
Sodium Chloride Solubility
Water - Chlorine
Water - Ammonia - Carbon Dioxide
Water - Sulfur Dioxide
Chrome Hydroxides
Gypsum Solubility
Water - Phosphoric Acid
Appendix 9.1 - Parameters for Beutier and Renon's Method
Table 1: Temperature fit parameters for equilibrium constants
Table 2: Temperature fit parameters for Henry's constants
Table 3: Pitzer ion-ion interaction parameters
Table 4: Temperature fit molecule self interaction parameters
Table 5: Dielectric effect parameters
Appendix 9.2 - Parameters for Edwards, Maurer, Newman and Prausnitz Method
Table 1: Temperature fit parameters for equilibrium constants
Table 2: Temperature fit parameters for Henry's constants
Table 3: Ion-ion interaction parameters
Table 4: Temperature fit molecule self interaction parameters
Table 5: Molecule-ion interaction parameters
Appendix 9.3 - Fugacity Coefficient Calculation
Table 1: Pure component parameters
Table 2: Nonpolar and polar contribution to parameters a and ß for four polar gases
Table 3: Interaction parameter a012 for polar-nonpolar mixtures Numbers in parentheses are estimates
Table 4: Parameter a12 for binary mixtures of nonpolar gases
Table 5: Interaction parameter a012 for polar-polar mixtures
Appendix 9.4 - Brelvi and O'Connell Correlation for Partial Molar Volumes
Table 1: Characteristic volumes
Appendix 9.5 - Gypsum Solubility Study Parameters at 25°C
Table 1: Binary solution parameters for the Pitzer equations
Table 2: Mixed electrolyte solution parameters for the Pitzer equations
Table 3: Gypsum solubility product at 25°C
X. APPENDICES
APPENDIX A - COMPUTER PROGRAMS FOR SOLVING EQUILIBRIA PROBLEMS
APPENDIX B - SELECTED THERMODYNAMIC DATA
APPENDIX C - COMPILED THERMODYNAMIC DATA SOURCES FOR AQUEOUS AND BIOCHEMICAL SYSTEMS: An Annotated Bibliography (1930 - 1983)
INDEX

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