De posible interes para la lista.

Saludos,  
Allan Mackie

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    Dear colleagues,

    We are pleased to announce the second webinar organised by Statistical Mechanics and Thermodynamics Group  (SMTG) of the Royal Society of Chemistry.  The webinar will be delivered by Prof. Josep Bonet from the University of Tarragona, Rovira i Virgili, Spain on Wed, Oct 21, 2020 4:00 - 5:15 PM BST. The title of his talk is:

    Generalised Energy-Conserving Dissipative Particle Dynamics: a coarse-grained method to tackle simulations of complex fluids

    Registration to the webinar is free using the following link: 

    https://register.gotowebinar.com/register/5504544844148082190 


    Kind regards,
    Carlos Avendano (Treasurer of the SMTG)
    https://twitter.com/rsc_smtg 



    Prof. Josep Bonet Avalos University of Tarragona, Rovira i Virgili, Spain 
    https://www.urv.cat/en/research/support/programmes/marti-franques/cofund/phd-supervisors/bonet-josep/ 

    In a recent article we introduced the so-called Generalised energy-conserving Dissipative Particle Dynamics (GenDPDE) method. In this mesoscopic method the particles are considered as mesoscopic objects, a priori containing many degrees-of-freedom, which suggest the possibility of defining internal particle thermodynamics. However by construction, the variables defining the particle internal state are fluctuating due to the mesoscopic size of the object. In the original DPDE definition, particle thermodynamics were restricted to a linear relation between the stored energy u and the particle temperature, T, through u = Cv T , where Cv is the mesoparticle heat capacity. The force between DPDE particles was given by a function of the distance only, hence independent of their thermodynamic states, although it can be defined in terms of the local particle density. Only with the introduction of the GenDPDE method have we achieved a description in which the particle temperature and the particle density are entangled in the coarse-grain model of the force. Unexpectedly, some fundamental questions about what is heat and what is work in small fluctuating systems have arisen. In this presentation we will show that the particle thermodynamic description cannot be considered in terms of a thermodynamic potential, but as a distribution in which the variables considered as free to fluctuate play an important role. Within the GenDPDE framework the way is paved to address important problems in e.g. in the Chemical Engineering domain.


    Without Questions there are no Answers!
    ________________________________________
    Dr. Alin Marin ELENA MInstP CCP5 Secretary
    Daresbury Laboratory, STFC
    Sci-Tech, Keckwick Lane
    Daresbury, Warrington, Cheshire
    UK, WA4 4AD
    https://www.scd.stfc.ac.uk/Pages/Alin-Elena.aspx
    +44 (0) 1925 60 3080
    https://ukri.zoom.us/my/alinelena
    ________________________________________

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