Model hysteresis dimer molecule. I: Equilibrium properties

DOI10.1007/s10910-006-9146-1zbMath1217.81168OpenAlexW1980174688MaRDI QIDQ551854

Christopher Gunaseelan Jesudason

Publication date: 21 July 2011

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-006-9146-1

zbMATH Keywords

hysteresis chemical reaction modelkinetic propertiesthermodynamics of reaction

Mathematics Subject Classification ID

Molecular physics (81V55)

Related Items (4)

Focus on the Clausius inequalities as a consequence of modeling thermodynamic systems as a series of open Carnot cycles ⋮ Overview of some results in my thermodynamics, quantum mechanics, and molecular dynamics simulations research ⋮ The form of the rate constant for elementary reactions at equilibrium from MD: framework and proposals for thermokinetics ⋮ Simulation algorithm that conserves energy and momentum for molecular dynamics of systems driven by switching potentials

Cites Work

• The Clausius inequality: implications for non-equilibrium thermodynamic steady states with NEMD corroboration
• An energy interconversion principle applied in reaction dynamics for the determination of equlibrium standard states

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