Nonequilibrium thermodynamics of an interface

Schweizer, Marco; Öttinger, Hans Christian; Savin, Thierry

doi:10.1103/physreve.93.052803

Cited by 18 publications

(19 citation statements)

References 44 publications

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“…Equation (8). While Gibbs gave these relations only for a fluid-fluid interface in global equilibrium, we have now shown, through the use of the identifications of Equation (12), that they are also valid away from equilibrium.…”

Section: The Interface Away From Global Equilibriummentioning

confidence: 71%

“…The temperature and chemical potentials of the surface were found to be gauge-invariant, whereas the excess densities were gauge-variant. Schweizer et al [8] verified the results for a one-component liquid-vapor interface, using molecular dynamics simulations. The conclusions of these papers support those discussed here.…”

Section: Introductionmentioning

confidence: 87%

“…To understand transport through, into, and along interfaces is of practical importance in physics, chemistry biology, and engineering [1][2][3][4][5][6][7][8]. Large efforts have been made to develop a rigorous and thermodynamically consistent description of surfaces at global equilibrium and away from this condition.…”

Section: Introductionmentioning

confidence: 99%

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Fluid-Fluid Interfaces of Multi-Component Mixtures in Local Equilibrium

Bedeaux

Kjelstrup

2018

Entropy

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Abstract:We derive in a new way that the intensive properties of a fluid-fluid Gibbs interface are independent of the location of the dividing surface. When the system is out of global equilibrium, this finding is not trivial: In a one-component fluid, it can be used to obtain the interface temperature from the surface tension. In other words, the surface equation of state can serve as a thermometer for the liquid-vapor interface in a one-component fluid. In a multi-component fluid, one needs the surface tension and the relative adsorptions to obtain the interface temperature and chemical potentials. A consistent set of thermodynamic properties of multi-component surfaces are presented. They can be used to construct fluid-fluid boundary conditions during transport. These boundary conditions have a bearing on all thermodynamic modeling on transport related to phase transitions.

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Section: The Interface Away From Global Equilibriummentioning

confidence: 71%

Section: Introductionmentioning

confidence: 87%

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Fluid-Fluid Interfaces of Multi-Component Mixtures in Local Equilibrium

Bedeaux

Kjelstrup

2018

Entropy

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“…The local thermodynamic equilibrium assumption remains valid at remarkable small scales, for example down to 8-18 particles subjected to large temperature gradients (10 12 K/m) and mass fluxes (13 kmol/m2s) in homogeneous systems and slightly larger but still small values in porous or interfacial system (Kjelstrup et al, 2008, Schweizer et al, 2016, Kjelstrup et al, 2018. Indeed, a criterion based on the magnitude of local relative fluctuation of state variable has been devised for testing the validity of the local equilibrium hypothesis (Kjelstrup et al 2008) and if that is true classical NET can be used.…”

Section: Change In the System: Examining The Local Equilibrium Hypothmentioning

confidence: 99%

A nonequilibrium thermodynamics perspective on nature-inspired chemical engineering processes

Gerbaud¹,

Shcherbakova²,

Cunha³

2020

Chemical Engineering Research and Design

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Nature-inspired chemical engineering (NICE) is promising many benefits in terms of energy consumption, resilience and efficiencyetc.but it struggles to emerge as a leading discipline, chiefly because of the misconception that mimicking Nature is sufficient. It is not, since goals and constrained context are different. Hence, revealing context and understanding the mechanisms of natureinspiration should be encouraged. In this contribution we revisit the classification of three published mechanisms underlying nature-inspired engineering, namely hierarchical transport network, force balancing and dynamic self-organization, by setting them in a broader framework supported by nonequilibrium thermodynamics, the constructal law and nonlinear control concepts. While the three mechanisms mapping is not complete, the NET and CL joint framework opens also new perspectives. This novel perspective goes over classical chemical engineering where equilibrium based assumptions or linear transport phenomena and control are the ruling mechanisms in process unit design and operation. At small-scale level, NICE processes should sometimes consider advanced thermodynamic concepts to account for fluctuations and boundary effects on local properties. At the process unit level, one should exploit out-of-equilibrium situations with thermodynamic coupling under various dynamical states, be it a stationary state or a self-organized state. Then, nonlinear phenomena, possibly provoked by operating larger driving force to achieve greater dissipative flows, might occur, controllable by using nonlinear control theory. At the plant level, the virtual factory approach relying on servitization and modular equipment proposes a framework for knowledge and information management that could lead to resilient and agile chemical plants, especially biorefineries.

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“…The second law of thermodynamics (entropy inequality) plays an important role in finding constitutive relations in the bulk (de Groot & Mazur 1962; Gyarmati 1970; Harten 1983; Lebon, Jou & Casas-Vázquez 2008), in designing numerical schemes (Tadmor & Zhong 2006; Kumar & Mishra 2012; Chandrashekar 2013), as well as in developing physically admissible boundary conditions (Bond & Struchtrup 2004; Struchtrup & Torrilhon 2007; Kjelstrup & Bedeaux 2008; Rana & Struchtrup 2016; Schweizer, Öttinger & Savin 2016; Rana, Gupta & Struchtrup 2018 a ; Beckmann et al 2018; Sarna & Torrilhon 2018). For the latter, one determines the entropy generation at the boundary and finds the boundary conditions as phenomenological laws that guarantee positivity of the entropy generation at the boundary.…”

Section: Introductionmentioning

confidence: 99%