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Molecular Theory of Solutions
General Concepts for Structure and Dynamics
- 1st Edition - April 1, 2029
- Author: Jens Smiatek
- Language: English
- Paperback ISBN:9 7 8 - 0 - 1 2 - 8 2 1 7 4 4 - 3
- eBook ISBN:9 7 8 - 0 - 1 2 - 8 2 1 7 5 8 - 0
Molecular Theory of Solutions: General Concepts for Structure and Dynamics presents basic concepts from modern molecular theories of solutions in order to rationalize underlyin… Read more
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Request a sales quoteMolecular Theory of Solutions: General Concepts for Structure and Dynamics presents basic concepts from modern molecular theories of solutions in order to rationalize underlying structural and dynamic effects. Sections cover the properties of solutions and solvation mechanisms, basic concepts from thermodynamics, statistical mechanics and molecular theories of solutions, alongside important experimental observations. The book then discusses basic principles of hydrodynamics and transport theory, with the corresponding outcomes used to highlight various concepts for the theoretical study of effective charge transport, electrokinetic flows and hydrodynamic interactions. The influence of external electric fields in terms of electrokinetic transport, as well as ion correlations are also highlighted. Other sections of note cover methods and models for particle-based computer simulation approaches at various length and time scales, providing insights into how molecular theories of solutions and simulations can be combined to produce more accurate theories and a more reliable description of solution effects.
- Collates discussion of both dynamic and structural effects in a single volume
- Highlights contemporary computational approaches and discusses the benefits and drawbacks of novel research tools
- Provides foundational guidance on solution and solvation mechanisms and science
Industrial and academic researchers, post-docs as well as graduate and undergraduate students of physics and chemistry, which are interested in soft matter theory, multicomponent and electrolyte solutions, molecular theories of solution, solvation science, dynamic and structural correlations as well as the use of computer simulations for the study of these effects. Lecturers and students of physics or chemistry with interest in molecular theories of solutions, principal scientists and postdocs working in pharmaceutical, biological and chemical industry, chemical engineers from industry and academia working on novel formulations for stable solutions, engineers and chemists working on electrolyte formulations for electrochemical storage devices, biologists from academia with interest in protein and DNA stabilization mechanisms, specific ion effects and co-solute effects
Part I: Structure and Thermodynamics
1. Introduction into Solutions: Definitions and Main Principles
2. Solvation
3. Solvation Thermodynamics
4. Solvent-Solute Affinities
5. Solvation in Multicomponent Solutions
6. Ions in Solution
7. Properties of Non-Ideal Mixtures
Part II: Dynamics
8. Principles of Hydrodynamics and Fluid Flows
9. Solute Motion
10. Navier-Stokes Equation
11. Hydrodynamic Interactions
12. Fluid Flows
13. Transport Effects in Multicomponent Solutions
14. Electrokinetic Transport
Part III: Computer Simulations
14. Basic Introduction: Methods and Models
15. Computer Simulations at Distinct Time and Length Scales
16. Applications
1. Introduction into Solutions: Definitions and Main Principles
2. Solvation
3. Solvation Thermodynamics
4. Solvent-Solute Affinities
5. Solvation in Multicomponent Solutions
6. Ions in Solution
7. Properties of Non-Ideal Mixtures
Part II: Dynamics
8. Principles of Hydrodynamics and Fluid Flows
9. Solute Motion
10. Navier-Stokes Equation
11. Hydrodynamic Interactions
12. Fluid Flows
13. Transport Effects in Multicomponent Solutions
14. Electrokinetic Transport
Part III: Computer Simulations
14. Basic Introduction: Methods and Models
15. Computer Simulations at Distinct Time and Length Scales
16. Applications
- No. of pages: 460
- Language: English
- Edition: 1
- Published: April 1, 2029
- Imprint: Elsevier
- Paperback ISBN: 9780128217443
- eBook ISBN: 9780128217580
JS
Jens Smiatek
Jens Smiatek received his Ph. D. in theoretical physics at Bielefeld University in 2009. After several postdoc and group leader positions at the University of Muenster, the University of Stuttgart and the Forschungszentrum Juelich, he received his habilitation in theoretical physics at the University of Stuttgart. Currently, he is working at Boehringer Ingelheim Pharma GmbH & Co. KG, Development Biologicals CMC, where he applies and develops numerical and theoretical methods for the design of novel biopharmaceutical formulations and the analysis of big data. His main research interests focus on the theoretical and computational study of polyelectrolytes, ions or DNA in solution and the complex interactions between the components of liquid mixtures in terms of structural and dynamic correlations. He has published over 60 research articles in scientific journals as well as a number of reviews on topics including aqueous ionic liquids, aprotic electrolyte solutions, free energy calculation methods as well as protein stabilization effects.
Affiliations and expertise
Institute for Computational Physics, University of Stuttgart, Stuttgart, Germany