Molecular Theory of Solutions: General Concepts for Structure and Dynamics

Molecular 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 INDICE: Part I: Structure and Thermodynamics1. Introduction into Solutions: Definitions and Main Principles2. Solvation3. Solvation Thermodynamics4. Solvent-Solute Affinities5. Solvation in Multicomponent Solutions6. Ions in Solution7. Properties of Non-Ideal MixturesPart II: Dynamics8. Principles of Hydrodynamics and Fluid Flows9. Solute Motion10. Navier-Stokes Equation11. Hydrodynamic Interactions12. Fluid Flows13. Transport Effects in Multicomponent Solutions14. Electrokinetic TransportPart III: Computer Simulations14. Basic Introduction: Methods and Models15. Computer Simulations at Distinct Time and Length Scales16. Applications

• ISBN: 978-0-12-821744-3
• Editorial: Elsevier
• Encuadernacion: Rústica
• Páginas: 460
• Fecha Publicación: 01/10/2022
• Nº Volúmenes: 1
• Idioma: Inglés