ic-rmm3

3RD INTERNATIONAL CONFERENCE ON RHEOLOGY
AND MODELING OF MATERIALS

in Miskolc-Lillafüred, Hungary, 2-6 October, 2017.

 
 
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SESSION 20:Rheology and Molecular Dynamics Simulation of Ionic Liquids (RMDSIL)


Symposium Polymer derived ceramics

Ionic liquids are a novel class of substances with melting points below 100 ℃ and in some cases below room temperature or even below 0 ℃. They often consist of cations substituted with hydrocarbon chains such as various phosphonium or ammonium ions and anions substituted with carboxylic acid residues such as borate ions. An important application of these systems is various kinds of lubricants. Therefore knowledge of their rheology is very interesting both from a scientific and technological point of view. Since the structure of these substances is rather complicated it is difficult to synthesize them and once they are synthesized it is difficult to purify them. Consequently, it is very useful to perform molecular dynamics simulation to determine their thermodynamic properties and transport coefficients, not least the viscosity, in order to help organic chemists to select molecules with promising properties to synthesise. In particular it is interesting to perform shear flow simulations because this is a very good model of real lubrication situations and it becomes possible determine how the molecular structure changes with the shear rate and to relate the microscopic molecular structure to macroscopic transport properties.

A session on the study of the rheology of ionic liquids by molecular dynamics simulation would make it possible to bring together senior experts on molecular dynamics and synthesis chemists with students and postdocs and industrial development engineers in order to spread the knowledge on molecular dynamics simulation of rheological properties which is rather limited despite the fact that shear flow simulations of been around for quite some time by now.

 

Session Organizer and Chair

 

Dr Sten SARMAN

Stockholm University

SWEDEN

sarman@ownit.nu

 

Session Topics

 

Complex liquids

Ionic liquids

Molecular dynamics simulation

Lubricants

Shear flow simulations

 

All works related to rheology properties, measurement and molecular dynamic simulation of ionic liquids are welcome in this session!

 
 
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