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# Generalized van der Waals Theory of Molecular Fluids in Bulk and at Surfaces

- 1st Edition - September 5, 2018
- Authors: Sture Nordholm, Jan Forsman, Cliff Woodward, Ben Freasier, Zareen Abbas
- Language: English
- Paperback ISBN:9 7 8 - 0 - 1 2 - 8 1 1 1 3 6 - 9
- eBook ISBN:9 7 8 - 0 - 1 2 - 8 1 1 1 9 0 - 1

Generalized van der Waals Theory of Molecular Fluids in Bulk and at Surfaces presents successful research on the development of a new density theory of fluids that makes it possib… Read more

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Request a sales quote*Generalized van der Waals Theory of Molecular Fluids in Bulk and at Surfaces* presents successful research on the development of a new density theory of fluids that makes it possible to understand and predict a wide range of properties and phenomena. The book brings together recent advances relating to the Generalized van der Waals Theory and its use in fluid property calculations. The mathematics presentation is oriented to an audience of varying backgrounds, and readers will find exercises that can be used as a textbook for a course at the upper undergraduate or graduate level in physics or chemistry.

In addition, it is ideal for scientists from other areas, such as geophysics, oceanography and molecular biology who are interested in learning about, and understanding, molecular fluids.

- Presents an approximate, but fully derived and physically explained, theory of molecular fluids to facilitate broad applications
- Derives a density functional theory of classical fluids and applies it to obtain equations of state, as well as non-uniform fluid properties, e.g., surface tension and adsorption
- Demonstrates how the theory can be applied to complex multi-center molecules forming a polymer fluid
- Provides user-friendly programs to redraw figures for variable parameters and to perform calculations in particular applications
- Includes a set of exercises to support use of the book in a course

Researchers in statistical mechanics, scientists and engineers working with fluids as well as graduate and upper undergraduate students in chemistry, chemical engineering and physics

**1 Introduction**

**2 Foundations**

**3 Ideal Molecular Gases**

3.1 Equation of state

3.2 Thermochemistry

4 Intermolecular Potentials

4.1 Simple fluids - Generic potentials

4.2 Electrostatic interactions in molecular fluids

4.3 Effective electrostatic interactions

4.4 Distributed interactions

5 Basic Equations of State for Simple Fluids

5.1 The virial equation of state

5.2 The van der Waals equation of state

5.3 The phase diagram of a fluid

5.4 Empirical equations of state

6 The Generalized van der Waals Theory

6.1 The free energy density functional theory

6.1.1 The local functional

6.1.2 The nonlocal functional

6.2 The GvdW theory of simple fluid equations of state

6.2.1 Hard spheres

6.2.2 Lennard-Jones fluids

6.2.3 Quantum effects on simple fluid equations of state

7 Simple Fluid Mixtures

7.1 Ideal gas mixtures

7.2 Interacting simple fluid mixtures

7.2.1 Interactions in mixtures

7.2.2 Excess properties of mixtures

7.2.3 Regular solution theory

7.2.4 One-fluid theory

7.2.5 GvdW theory

8 Surface Tension in Simple Fluids

8.1 Mechanical definition of surface tension

8.2 GvdW free energy theory of surface tension

8.2.1 Simple step function profile and local entropy theory

8.2.2 Improved estimates of surface tension

8.2.3 Interfacial tension in fluid mixtures

8.2.4 Classical theory of nucleation

8.2.5 Curvature dependence of surface tension

8.2.6 Drop or bubble stability - The Young-Laplace relation

9 Adsorption at Solid Surfaces

9.1 The simplest isotherm of adsorption - Henry's Law

9.2 The Langmuir adsorption isotherm

9.3 GvdW theory of single layer adsorption

9.4 Multilayer adsorption

9.4.1 The BET theory

9.4.2 GvdW theory of adsorption

10 Electrolyte fluids

10.1 Screening and thermodynamics of salt solutions

10.2 Ionic liquids

11 Polymer Fluids

11.1 Lattice theory according to Flory-Huggins

11.2 Polymer extension of GvdW theory

12 Summary and Outlook

- No. of pages: 380
- Language: English
- Edition: 1
- Published: September 5, 2018
- Imprint: Elsevier
- Paperback ISBN: 9780128111369
- eBook ISBN: 9780128111901

SN

### Sture Nordholm

JF

### Jan Forsman

CW

### Cliff Woodward

BF

### Ben Freasier

ZA

### Zareen Abbas

*Generalized van der Waals Theory of Molecular Fluids in Bulk and at Surfaces*on ScienceDirect