• This record comes from PubMed

Thermodynamic Driving Forces and Chemical Reaction Fluxes; Reflections on the Steady State

. 2020 Feb 06 ; 25 (3) : . [epub] 20200206

Language English Country Switzerland Media electronic

Document type Journal Article

Links

PubMed 32041273
PubMed Central PMC7036932
DOI 10.3390/molecules25030699
PII: molecules25030699
Knihovny.cz E-resources

Molar balances of continuous and batch reacting systems with a simple reaction are analyzed from the point of view of finding relationships between the thermodynamic driving force and the chemical reaction rate. Special attention is focused on the steady state, which has been the core subject of previous similar work. It is argued that such relationships should also contain, besides the thermodynamic driving force, a kinetic factor, and are of a specific form for a specific reacting system. More general analysis is provided by means of the non-equilibrium thermodynamics of linear fluid mixtures. Then, the driving force can be expressed either in the Gibbs energy (affinity) form or on the basis of chemical potentials. The relationships can be generally interpreted in terms of force, resistance and flux.

See more in PubMed

Melle I., Flintjer B., Jansen W. Zur Geschichte der “Triebkraft” chemischer Reaktionen. Prax. Naturwiss. 1993;42:2–5.

Glasstone S., Laidler K.J., Eyring H. The Theory of Rate Processes. McGraw Hill; New York, NY, USA: 1941. p. 142.

Gamiz-Hernandez A.P., Magomedow A., Hummer G., Kaila V.R.J. Linear Energy Relationships in Ground State Proton Transfer and Excited Proton-Coupled Electron Transfer. J. Phys. Chem. B. 2015;119:2611–2619. doi: 10.1021/jp508790n. PubMed DOI

Zhu X.-Q., Zhou J., Wang C.-H., Li X.-T., Jing S. Actual Structure, Thermodynamic Driving Force, and Mechanism of Benzofuranone-Typical Compounds as Antioxidants in Solution. J. Phys. Chem. B. 2011;115:3588–3603. doi: 10.1021/jp200095g. PubMed DOI

Pekař M. Thermodynamics and foundations of mass-action kinetics. Prog. React. Kinet. Mech. 2005;30:3–113. doi: 10.3184/007967405777874868. DOI

Pekař M. Thermodynamics and Reaction Rates. In: Moreno-Pirajan J.C., editor. Thermodynamics—Interaction Studies—Solids, Liquids and Gases. InTech; Rijeka, Croatia: 2011. [(accessed on 4 February 2020)]. pp. 673–694. Available online: https://www.intechopen.com/books/thermodynamics-interaction-studies-solids-liquids-and-gases/thermodynamics-and-reaction-rates.

Beard D.A., Qian H. Relationship between Thermodynamic Driving Force and One-Way Fluxes in Reversible Processes. PLoS ONE. 2007;2:e144. doi: 10.1371/journal.pone.0000144. PubMed DOI PMC

Pekař M., Samohýl I. The Thermodynamics of Linear Fluids and Fluid Mixtures. Springer; Cham, Switzerland: 2014.

Pekař M. Macroscopic derivation of the kinetic mass-action law. React. Kinet. Mech. Catal. 2010;99:29–35. doi: 10.1007/s11144-009-0101-6. DOI

Bowen R.M. On the Stoichiometry of Chemically Reacting Systems. Arch. Ration. Mech. Anal. 1968;29:114–124. doi: 10.1007/BF00281361. DOI

Pekař M. Thermodynamic analysis of chemically reacting mixtures—Comparison of first and second order models. Front. Chem. 2018;6:35. doi: 10.3389/fchem.2018.00035. PubMed DOI PMC

Pekař M. The Thermodynamic Driving Force for Kinetics in General and Enzyme Kinetics in Particular. ChemPhysChem. 2015;16:884–885. doi: 10.1002/cphc.201402778. PubMed DOI

Find record

Citation metrics

Loading data ...

Archiving options

Loading data ...