A non-equilibrium thermodynamics model for combined adsorption and diffusion processes in micro- and nanopores

Santamaría‐Holek, I.; Grzywna, Zbigniew J.; Rubı́, J. M.

doi:10.1515/jnetdy-2011-0029

Cited by 19 publications

(25 citation statements)

References 26 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…The leakage of the water and dissolved ions [22,26] accompanying H-bond breakage may cause a proton streams cascades' creation. The Re number is higher in nanochannels as confinement grows [16,30], thus, such revealed mechanism seems to be an important factor in systems with facilitated lubrication.…”

Section: Virtual Connotations With a Mesoscopic Biolubrication Mechanmentioning

confidence: 99%

Unravelling a Self-healing Thermo- and Hydrodynamic Mechanism of Transient Pore's Late-stage Closing in Vesicles, and Related Soft-matter Systems, in Terms of Liaison Between Surface-tension and Bending Effects

Gadomski¹,

Bełdowski²,

Martínez-Balbuena³

et al. 2016

Acta Phys. Pol. B

View full text Add to dashboard Cite

This study is devoted to reveal a simple self-healing, diffusive-dissolution-like mechanism of transient pore's closing in a model spherical vesicle. It is based on a novel thermodynamic mechanism invented in terms of structural flux-force relations, with Onsager's coefficients reflecting the mainand cross-effects of nearly one-micrometer-in-diameter pore formation (of linear cross sectional size r) immersed within the membrane of a spherical vesicle of at least several tens of micrometer in its radius (R). The closing nanoscopic limit is given by r → 0. The pore's formation is envisaged as a kind of bending and excess-area bearing (randomly occurring) failure, contrasting with a homogenizing action of the surface tension, trying to recover an even distribution of the elastic energy accumulated in the membrane. The failure yields at random the subsequent transient pore of a certain (1341) 1342A. Gadomski et al.characteristic length along which the solution leaks out, with some appreciable speed, until the passage is ultimately closed within a suitable time interval. Inside such a time span, the system relaxes back toward its local equilibrium and uncompressed state until which the pore dissolves, and the before mentioned excess area vanishes. The (slow and non-exponential) relaxation-dissolution behavior bears a diffusion fingerprint, and it can be related with varying osmotic-pressure conditions. Useful connotations with a qualitatively similar biolubrication mechanism in articulating (micellescontaining) systems, down to the nanoscale, have also been pointed out.

show abstract

Section: Virtual Connotations With a Mesoscopic Biolubrication Mechanmentioning

confidence: 99%

Unravelling a Self-healing Thermo- and Hydrodynamic Mechanism of Transient Pore's Late-stage Closing in Vesicles, and Related Soft-matter Systems, in Terms of Liaison Between Surface-tension and Bending Effects

Gadomski¹,

Bełdowski²,

Martínez-Balbuena³

et al. 2016

Acta Phys. Pol. B

View full text Add to dashboard Cite

show abstract

“…where C represents a concentration of particles in mol/cm 2 . In the following sections, we will show that the generalized Fick-Jacobs equation has the form [44,43] ∂c…”

Section: Introductionmentioning

confidence: 97%

“…where now c(x, t) is a linear concentration of particles in mol/cm, and j(x, t) is a generalized flux that depends upon all the possible fluxes of particles inside the pore (other than the diffusive), including chemical reactions. The two main contributions of this work are to demonstrate that the chemical flux j(x, t) is not uniform along the pore [44,43], but it is related to the curvature of the pore walls, and to show the importance of this fact in the description of adsorption-desorption processes. Finally, we have tested the obtained generalized Fick-Jacobs equation by comparing the numerical solutions of the last equation and the original two-dimensional mass balance equation under nonequilibrium conditions.…”

Section: Introductionmentioning

confidence: 99%

Generalized Fick–Jacobs Approach for Describing Adsorption–Desorption Kinetics in Irregular Pores under Nonequilibrium Conditions

2016

View full text Add to dashboard Cite

We present a study exploring the range of applicability of a generalized Fick-Jacobs equation in the case when diffusive mass transport of a fluid along a pore includes chemical reactions in the bulk and pore's surface. The study contemplates nonequilibrium boundary conditions and makes emphasis on the comparison between the predictions coming from the projected Fick-Jacobs description and the corresponding predictions of the original twodimensional mass balance equation, establishing a simple quantitative criterion of validity of the projected description. For the adsorption-desorption process, we demonstrate that the length and the local curvature of the pore are the relevant geometric quantities for its description, allowing for giving very precise predictions of the mass concentration along the pore. Some schematic cases involving adsorption and chemical reaction are used to quantify with detail the concentration profiles in transient and stationary states involving equilibrium and nonequilibrium situations. Our approach provides novel and important insights in the study of diffusion and adsorption in confined geometries.

show abstract

“…However, also interesting physical chemistry concepts emerge from this contraction of the description. Concepts like entropic forces as a result of entropic restrictions, or effective reaction velocity constants and their influence on the overall behavior of the system allow to have simplified interpretations of the processes involved that are consistent with the microscopic details, in similar form as other branches of physics, like in the case of statistical mechanics and thermodynamics [26][27][28][29].…”

Section: Introductionmentioning

confidence: 99%

Review on the Macro-Transport Processes Theory for Irregular Pores able to Perform Catalytic Reactions

et al. 2019

View full text Add to dashboard Cite

We review and generalize a recent theoretical framework that provides a sound physicochemical basis to describe how volume and surface diffusion are affected by adsorption and desorption processes, as well as by catalytic conversion within the space defined by the irregular geometry of the pores in a material. The theory is based on two single-dimensional mass conservation equations for irregular domains deduced for the volumetric (bulk) and surface mass concentrations. It offers a powerful tool for analyzing and modeling mass transport across porous media like zeolites or artificially build materials, since it establishes how the microscopic quantities that refer to the internal details of the geometry, the flow and the interactions within the irregular pore can be translated into macroscopic variables that are currently measured in experiments. The use of the theory in mass uptake experiments is explained in terms of breakthrough curves and effective mass diffusion coefficients which are explicitly related to the internal geometry of the pores.

show abstract

A non-equilibrium thermodynamics model for combined adsorption and diffusion processes in micro- and nanopores

Cited by 19 publications

References 26 publications

Unravelling a Self-healing Thermo- and Hydrodynamic Mechanism of Transient Pore's Late-stage Closing in Vesicles, and Related Soft-matter Systems, in Terms of Liaison Between Surface-tension and Bending Effects

Unravelling a Self-healing Thermo- and Hydrodynamic Mechanism of Transient Pore's Late-stage Closing in Vesicles, and Related Soft-matter Systems, in Terms of Liaison Between Surface-tension and Bending Effects

Generalized Fick–Jacobs Approach for Describing Adsorption–Desorption Kinetics in Irregular Pores under Nonequilibrium Conditions

Review on the Macro-Transport Processes Theory for Irregular Pores able to Perform Catalytic Reactions

Contact Info

Product

Resources

About