Page 3 - Adsorptionbypowders & poroussolids muyace

Contents

Preface xiii

List of Main Symbols xv
Chapter 1. Introduction 1

1.1. Importance of adsorption 1
1.2. Historical aspects 2
1.3. General definitions and terminology 6
1.4. Physisorption and chemisorption 10
1.5. Adsorption interactions 10
1.6. Mobility of adsorbed molecules 12
1.7. Energetics of physisorption 14
1.8. Types of adsorption isotherms 18
1.8.1. Physisorption of gases 18
1.8.2. Chemisorption of gases 20
1.8.3. Adsorption from solution 21
1.9. Molecular modelling of adsorption 2 1
1.9.1. Intermolecular potential functions 22
1.9.2. Molecular simulation 23
Monte Carlo (MC) simulation 23
Molecular dynamics (MD) 23
1.9.3. Density functional theory (DFT) 23
References 25
Chapter 2. Thermodynamics of Adsorption at the Gas-Solid Interface

2.1. Introduction 27
2.2. Quantitative expression of adsorption 28
2.3. Thermodynamic potentials of adsorption 32
2.4. Thermodynamic quantities related to the adsorbed states in the Gibbs
representation 36
2.4.1. Definitions of the molar surface excess quantities 36
2.4.2. Definitions of the differential surface excess quantities 37