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Non-isothermal Activation Kinetics

Arango-Restrepo A., Rubi J. M.

Computational Methods in Science and Technology

2017

Vol. 23, No. 3

155--163

We analyze the activation kinetics of a system immersed in a non-isothermal bath. Using mesoscopic nonequilibrium thermodynamics, we show that activation is not only driven by the affinity but also by the temperature gradient. Both thermodynamic forces play a role in the kinetics. The presence of a thermal gradient makes the detailed balance principle not fulfilled. We show that although the law of mass action holds locally, in terms of the local temperature, it is in general not valid globally, when the local values of the activation rate and the fugacity difference are replaced by their corresponding spatial averages. We analyze numerically the deviations of that global law from the actual activation kinetics as a function of the temperature gradient and the activation energy. Our analysis shows how to control the reaction rate by means of a temperature gradient.

Formation of soft material in terms of a coupled matter migration-and-relaxation picture: a synchronous mode

Gadomski A., Dressler M., Santamaría-Holek I., Rubi J. M.

Materials Science Poland

2006

Vol. 24, No. 4

935--949

This study is devoted to draw a mesoscopic nonequilibrium thermodynamics (mnet)-based description of the model soft material, such as that made of clusters of amphiphilic molecules or biopolymer surfactants. The description offered also enters the region of nonlinear viscoelastic behaviour of soft-matter agglomerates, both in a fluctuation-driven (quantitatively, being realized in an synchronous mode) and some flow-driven (mostly, qualitatively) regime. A special emphasis is placed on a novel concept, termed the emergent (power-law) behaviour, which tries to effectively combine data available about specific soft-matter (complex) systems that under variety of physicochemical conditions often manifest a certain interesting mesoscopic properties