Theory of Coarse-Graining and its applications towards the modelling of complex fluids

DATES: 13-17 May 2019 (5 sessions)
TIME: 10:00 - 12:00 (a total of 10 hours)
LOCATION: BCAM Seminar room

In this course we present in detail the fundamentals of the theory of coarse-graining, explore different applications that range from thermodynamics of small systems to complex fluids (colloidal suspensions and other viscoelastic fluids), and describe particle-based simulation methodologies like DPD and SDPD for the simulation of complex fluids.

PROGRAMME:

1. The microscopic level: Classical Mechanics and Statistical Mechanics. Ergodicity, Irreversibility, Equilibrium. Probabilities in Phase space. Levels of description. The Maximum Entropy Principle.
2. The CG dynamics: The Stochastic Dynamics of Coarse Grained variables. Green's view of coarse-graining. The Zwanzig projection operator technique. The GENERIC framework. Einstein formula, small fluctuations. SDE for pedestrians. Near equilibrium and Mori theory of projection operators.
3. The Theory of Coarse-Graining at work: Thermodynamics of small systems. Colloids, Smoluchowski and Langevin descriptions. Discrete fluctuating hydrodynamics. Nanoparticles embedded in a fluid.
4. Lagrangian fluid particles: The continuum limit and the Lagrangian description. The DPD model. The SDPD model. The SDPD model for viscoelastic fluids.
5. Blob Models of complex molecules: Coarse-grained models for complex molecules. Isothermal models of complex molecules. Non-isothermal models.


REFERENCES:
[1] H. Grabert "Projection operator techniques in Non-equilibrium Statistical Mechanics" (Springer 1982)
[2] H.C. Öttinger "Beyond equilibrium Thermodynamics" (Wiley & sons 2005)


*Registration is free, but mandatory before May 10th: To sign-up go to https://bit.ly/2DguyZe and fill the registration form. Student grants are available. Please, let us know if you need support for travel and accommodation expenses when you fill the form.

• Theory Of Coarse-Graining And Its Applications Towards The Modelling Of Complex Fluids
• BCAMCourse_2019_05_13