An energy interconversion principle applied in reaction dynamics for the determination of equlibrium standard states

DOI10.1007/s10910-005-9018-0zbMath1124.80001arXivphysics/0505209OpenAlexW2090694266MaRDI QIDQ2503725

Christopher Gunaseelan Jesudason

Publication date: 22 September 2006

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

Full work available at URL: https://arxiv.org/abs/physics/0505209

zbMATH Keywords

free energymolecular dynamicschemical equilibriumequilibrium standard states

Mathematics Subject Classification ID

Thermodynamics of continua (80A17) Classical and relativistic thermodynamics (80A10) Chemical kinetics in thermodynamics and heat transfer (80A30) Statistical thermodynamics (82B30)

Related Items (5)

Overview of some results in my thermodynamics, quantum mechanics, and molecular dynamics simulations research ⋮ I. Numerical nonlinear analysis: Differential methods and optimization applied to chemical reaction rate determination ⋮ The form of the rate constant for elementary reactions at equilibrium from MD: framework and proposals for thermokinetics ⋮ Model hysteresis dimer molecule. I: Equilibrium properties ⋮ Conductivities of ionic fluids in bismuth oxysulfates

Cites Work

• The Clausius inequality: implications for non-equilibrium thermodynamic steady states with NEMD corroboration
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