Dissipative Particle Dynamics

Fundamentals and Applications in Soft Matter Science and Engineering
Erscheinungsjahr 2025
ISBN: 978-0-443-13665-8
Verlag: Elsevier Science

Buch, Englisch, 396 Seiten, Format (B × H): 191 mm x 235 mm, Gewicht: 450 g

Dissipative Particle Dynamics: Fundamentals and Applications in Soft Matter Science and Engineering comprehensively presents the fundamentals of dissipative particle dynamics (DPD)?theoretical formulations and computational strategies, providing practical guidance on the application of DPD models to various colloidal and interfacial phenomena involving phase separations, self-assembly and transport in complex fluids, polymeric, surfactant, nanoparticle, and biological systems. In addition, the book contains instructive advice on efficient implementation of the DPD models in open-source computational packages. Since the introduction of the principles of DPD methodology, multiple efforts have been made to improve the computational basis of DPD, and to devise advanced versions and modifications. There are numerous research papers on this topic, but no books until now. Readers will find this to be a comprehensive reference source of multifaceted, interdisciplinary applications that provides practical guidance for efficient computational implementation.

Autoren/Hrsg.

Neimark, Alexander V

Santo, Kolattukudy P

Fachgebiete

• Wirtschaftswissenschaften Wirtschaftssektoren & Branchen Fertigungsindustrie
• Medizin | Veterinärmedizin Medizin | Public Health | Pharmazie | Zahnmedizin Medizinische Fachgebiete Pharmakologie, Toxikologie

Inhaltsverzeichnis

Part I: MESOSCALE LANDSCAPE OF COMPLEX MATERIALS
1. The Mesoscale Landscape of Soft Matter
2. Multiscale simulations
Part II: DPD FUNDAMENTALS
3. DPD Formulation
4. Advanced DPD formulations
5. Boundary Conditions in DPD Models
6. Parametrization of DPD Coarse-grained Systems
Part III: DPD APPLICATIONS
7. Multiphase Systems
8. Surfactant Systems
9. Polymer Solutions and Melts
10. Block Copolymers
11. Polymer-grafted Surfaces
12. Polyelectrolyte solutions and polymer-metal complexes
13. Polyelectrolyte membranes

14. Nanoparticle Systems
15. Lipid membranes
16. Colloidal Systems
17. Biopolymers
Part IV: IMPLEMENTATION OF DPD MODELS FOR HIGH - PERFORMANCE COMPUTATIONS
18. Running DPD simulations
Part V: DPD IN A NUTSHELL
19. Conclusions: DPD in a Nutshell

Über Autor(innen)

Neimark, Alexander V
Alexander V. Neimark is a Distinguished Professor of Chemical and Biochemical Engineering at Rutgers University, USA. He received his Doctor of Science degree at the Moscow State University and worked at the Institute of Physical Chemistry of Russian Academy of Sciences. After receiving the Humboldt fellowship in 1992, he worked at Mainz University (Germany) and then held visiting positions at CNRS (France), and Yale University (USA). Prior to joining Rutgers in 2006, he served as Research Director of the Center for Modeling and Characterization of Nanoporous Materials at the Textile Research Institute (TRI/Princeton) in 1996-2006. He is a recipient of many national and international awards and honored appointments, including Guggenheim Fellow, Blaise Pascal International Chair, Humboldt Fellow, Fellow of American Institute of Chemical Engineers, Fellow of International Adsorption Society, Distinguished Visiting Fellow of the Royal Academy of Engineering, and Leverhulme Professorship. He published 280+ research papers with 31,500+ citations and Hirsh index h=74.

Neimark's research interests include thermodynamics, statistical mechanics, and molecular modelling of adsorption, transport, and interfacial phenomena in nanoporous and nanostructured materials and self-assembly in surfactant and polymeric soft matter systems. For the last 12 years, his group at Rutgers has been actively involved in the development of novel simulation methods within the dissipative particle dynamics framework that resulted in 3 PhD and 3 MS dissertations and 20 papers, including a comprehensive historical perspective review [K.P. Santo and A.V. Neimark, Dissipative Particle Dynamics Simulations in Colloid and Interface Science, Advances in Colloid and Interface Science, 2021, V.298, 102545,?DOI: 10.1016/j.cis.2021.102545].

Santo, Kolattukudy P
Kolattukudy P. Santo is a research assistant professor at the department of chemical and biochemical engineering, Rutgers University, New Jersey, USA. Dr Santo obtained his Ph.D. in theoretical chemistry at the Indian Institute of Science, Bengaluru, India. After receiving his Ph.D., he worked as a post-doctoral fellow and visiting scientist at the National Institute of Nanotechnology (NRC) and University of Alberta in Edmonton, Canada, and later at the department of chemistry, University of North Carolina at Chapel Hill. Before joining Rutgers University in 2015, he worked as a teaching faculty at the department of physics, Central University of Kerala, Kasaragod, India.

Dr Santo has published 23 articles in international journals on theory and computational studies of diverse fields of soft matter, which include various polymeric systems, metal-polymer complexes, lipid membranes, proteins, and polysaccharides, isurfactant and nanoparticle solutions, and colloids. His main area of expertise is atomistic and coarse-grained molecular dynamics and dissipative particle dynamics simulations. He has published 23 papers in leading research journals.