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Parametrisation in Dissipative Particle Dynamics: Applications in Complex Fluids

  • Estela Mayoral-VillaEmail author
  • Eduardo Nahmad-Achar
Conference paper
Part of the Environmental Science and Engineering book series (ESE)

Abstract

A brief overview of mesoscopic modelling for neutral and electrostatically charged complex fluids via Dissipative Particle Dynamics (DPD) is presented, with emphasis on the appropriate parametrisation and how to calculate the relevant parameters for given realistic systems. DPD is a technique that consists of carrying out a coarse-graining of the microscopic degrees of freedom and it is highly dependent on parameters describing the different kinds of force fields and the parametrisation. For this reason, we present here a revision of DPD parametrisation together with applications and comparisons with experimental results. The dependence on concentration and temperature of the interaction parameters for electrostatic and non-electrostatic systems is also considered, as well as some applications in complex fluids.

Keywords

Interfacial Tension Solubility Parameter Dissipative Particle Dynamics Disjoin Pressure Conservative Force 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Notes

Acknowledgments

This work was partially supported by DGAPA-UNAM (under project IN101614). Valuable support in computing resources was obtained from DGTIC-UNAM.

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Copyright information

© Springer International Publishing Switzerland 2015

Authors and Affiliations

  1. 1.Instituto Nacional de Investigaciones NuclearesCarretera México-Toluca S/N, La MarquesaEstado de MexicoMexico
  2. 2.Instituto de Ciencias NuclearesUniversidad Nacional Autónoma de MéxicoMexicoMexico

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