Dataset Information

Hydrocarbon Sorption in Flexible MOFs-Part I: Thermodynamic Analysis with the Dubinin-Based Universal Adsorption Theory (D-UAT).

ABSTRACT: The analysis of empirical sorption equilibrium datasets is still vital to gain insights into material-property relationships as computational methods remain in development, especially for complex materials such as flexible MOFs. Therefore, the Dubinin-based universal adsorption theory (D-UAT) was revisited and evaluated as a simple visualization, analysis, and prediction tool for sorption equilibrium data. Within the theory, gas properties are normalized into corresponding states using the critical temperatures of the respective sorptives. The study shows theoretically and experimentally that the D-UAT is able to condense differences of sorption data visualized in reduced Dubinin plots to just three governing parameters: (a) the accessible pore volume, (b) the reduced enthalpy of sorption, and (c) the framework's reduced free energy differences (in case of flexible behavior). This makes the theory a fast visualization and analysis tool, the use as a prediction tool depends on rough assumptions, and thus is not recommended.

SUBMITTER: Preißler-Kurzhofer H

PROVIDER: S-EPMC9317873 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature

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Publications

Hydrocarbon Sorption in Flexible MOFs-Part I: Thermodynamic Analysis with the Dubinin-Based Universal Adsorption Theory (<i>D-UAT</i>).

Preißler-Kurzhöfer Hannes H Lange Marcus M Kolesnikov Andrei A Möllmer Jens J Erhart Oliver O Kobalz Merten M Krautscheid Harald H Gläser Roger R

Nanomaterials (Basel, Switzerland) 20220714 14

The analysis of empirical sorption equilibrium datasets is still vital to gain insights into material-property relationships as computational methods remain in development, especially for complex materials such as flexible MOFs. Therefore, the Dubinin-based universal adsorption theory (<i>D-UAT</i>) was revisited and evaluated as a simple visualization, analysis, and prediction tool for sorption equilibrium data. Within the theory, gas properties are normalized into corresponding states using th ...[more]

PMID: 35889636

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Project description:We introduce the theory of thermodynamic relativity, a unified theoretical framework for describing both entropies and velocities, and their respective physical disciplines of thermodynamics and kinematics, which share a surprisingly identical description with relativity. This is the first study to generalize relativity in a thermodynamic context, leading naturally to anisotropic and nonlinear adaptations of relativity; thermodynamic relativity constitutes a new path of generalization, as compared to the "traditional" passage from special to general theory based on curved spacetime. We show that entropy and velocity are characterized by three identical postulates, which provide the basis of a broader framework of relativity: (1) no privileged reference frame with zero value; (2) existence of an invariant and fixed value for all reference frames; and (3) existence of stationarity. The postulates lead to a unique way of addition for entropies and for velocities, called kappa-addition. We develop a systematic method of constructing a generalized framework of the theory of relativity, based on the kappa-addition formulation, which is fully consistent with both thermodynamics and kinematics. We call this novel and unified theoretical framework for simultaneously describing entropy and velocity "thermodynamic relativity". From the generality of the kappa-addition formulation, we focus on the cases corresponding to linear adaptations of special relativity. Then, we show how the developed thermodynamic relativity leads to the addition of entropies in nonextensive thermodynamics and the addition of velocities in Einstein's isotropic special relativity, as in two extreme cases, while intermediate cases correspond to a possible anisotropic adaptation of relativity. Using thermodynamic relativity for velocities, we start from the kappa-addition of velocities and construct the basic formulations of the linear anisotropic special relativity; e.g., the asymmetric Lorentz transformation, the nondiagonal metric, and the energy-momentum-velocity relationships. Then, we discuss the physical consequences of the possible anisotropy in known relativistic effects, such as, (i) matter-antimatter asymmetry, (ii) time dilation, and (iii) Doppler effect, and show how these might be used to detect and quantify a potential anisotropy.

Dataset Information

Hydrocarbon Sorption in Flexible MOFs-Part I: Thermodynamic Analysis with the Dubinin-Based Universal Adsorption Theory (D-UAT).

Publications

Hydrocarbon Sorption in Flexible MOFs-Part I: Thermodynamic Analysis with the Dubinin-Based Universal Adsorption Theory (<i>D-UAT</i>).

Similar Datasets

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