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The steepest-entropy-ascent quantum thermodynamics (SEAQT) framework is employed to describe the adsorption process of arsenic (V) onto graphene oxide both in and out of equilibrium. The steepest-entropy-ascent principle is used to derive a non-equil
Externí odkaz:
http://arxiv.org/abs/2410.05157
This work outlines the foundations for being able to do a first-principle study of the adsorption process using the steepest-entropy-ascent quantum thermodynamic (SEAQT) framework, a framework able to predict the unique non-equilibrium path taken by
Externí odkaz:
http://arxiv.org/abs/2410.04725
The steepest-entropy-ascent quantum thermodynamic framework is used to investigate the effectiveness of multi-chain polyethyleneimine-methylenephosphonic acid in sequestering rare-earth ions (Eu$^{+3}$) from aqueous solutions. The framework applies a
Externí odkaz:
http://arxiv.org/abs/2311.00299
Publikováno v:
J. Phys. Chem. B 2023, 127, 10370-10391
The steepest-entropy-ascent quantum thermodynamic (SEAQT) framework is utilized to study the effects of temperature on polymer brushes. The brushes are represented by a discrete energy spectrum and energy degeneracies obtained through the Replica-Exc
Externí odkaz:
http://arxiv.org/abs/2304.04105
Publikováno v:
J. Chem. Phys., 158, 104904, (14 pages), 2023
The Replica Exchange Wang-Landau Method is used to estimate the energy landscape of a polymer composed of a simple hydrophobic and polar sequence using the HP protein model. Calculations of state transitions between the energy levels of the derived e
Externí odkaz:
http://arxiv.org/abs/2208.09565
Publikováno v:
J. Phys.: Condensed Matter 35 075703 (2023)
The steepest-entropy-ascent quantum thermodynamic (SEAQT) framework was used to calculate the stability of a collection of point defects in 2D PtSe$_2$ and predict the kinetics with which defects rearrange during thermal annealing. The framework prov
Externí odkaz:
http://arxiv.org/abs/2206.04190
Publikováno v:
Acta Materialia, 237, 118163 (16 pages), 2022
A Potts model and the Replica Exchange Wang-Landau algorithm are used to construct an energy landscape for a crystalline solid containing surfaces and grain boundaries. The energy landscape is applied to an equation of motion from the steepest-entrop
Externí odkaz:
http://arxiv.org/abs/2108.11924
Autor:
Reynolds Jr., Stephen Brett1
Publikováno v:
Tulane Maritime Law Journal. Spring2024, Vol. 48 Issue 2, p273-303. 31p.
Steepest-entropy-ascent quantum thermodynamics, or SEAQT, is a unified approach of quantum mechanics and thermodynamics that avoids many of the inconsistencies that can arise between the two theories. Given a set of energy levels, i.e., energy eigens
Externí odkaz:
http://arxiv.org/abs/1810.08282
The kinetics of ordering and concurrent ordering and clustering is analyzed with an equation of motion initially developed to account for dissipative processes in quantum systems. A simplified energy eigenstructure, or pseudo-eigenstructure, is const
Externí odkaz:
http://arxiv.org/abs/1809.10633