The heat of transfer in a chemical reaction at equilibrium

Journal of Non-Equilibrium Thermodynamics

Volumn 32, Issue 3, 2007, Pages 341-349

  Xu, Jing ^a   Kjelstrup, Signe ^a   Bedeaux, Dick ^a   Simon, Jean Marc ^a,b  

^a NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

^b UNIVERSITÉ DE BOURGOGNE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL REACTIONS; COMPUTER SIMULATION; ENTHALPY; MOLECULAR DYNAMICS; THERMAL GRADIENTS;

CHEMICAL EQUILIBRIUM; NONEQUILIBRIUM MOLECULAR DYNAMICS; REACTING MIXTURE;

HEAT TRANSFER;

CHEMICAL REACTIONS; COMPUTER SIMULATION; ENTHALPY; HEAT TRANSFER; MOLECULAR DYNAMICS; THERMAL GRADIENTS;

EID: 34848922708     PISSN: 03400204     EISSN: 14374358     Source Type: Journal    
DOI: 10.1515/JNETDY.2007.026     Document Type: Conference Paper

References (9)

1. Hafskjold, B., Computer simulations of thermal diffusion in binary fluid mixtures, Chap. 1, in: Concepts, Theory, and Computer Simulations (Lecture Notes in Physics Vol. 584), Eds. W. Köhler, S. Wiegand, pp. 3-23, Springer, Berlin, 2002.
2. de Groot, S.R., Mazur, P., Non-Equlibrium Thermodynamics, Dover, 1984.
3. Førland, K.S., Førland, T., Kjelstrup, S., Irreversible Thermodynamics, Theory and Application, Tapir, Trondheim, 2001.
4. Furry, W.H., Jones, R.C, Onsager, L., On the theory of isotope separation by thermal diffusion, Phys. Rev., 55 (1939), 1083-1095.
5. Kempers, L.J.T.M., A comprehensive theory of the Soret effect in a multicomponent mixture, Chap. 5, in: Concepts, Theory, and Computer Simulations (Lecture Notes in Physics), Eds. W. Kõhler, S. Wiegand, pp. 74-92, Springer, Berlin, 2002.
6. Rousseau, B., Niete-Draghi, C., Bonet Avalos, J., The role of molecular association in the change of sign of the Soret coefficient in aqueous mixtures, Europhysics Lett., 67 (2004), 976-982.
7. Xu, J., Kjelstrup, S., Bedeaux, D., Molecular dynamics simulations of a chemical reaction; conditions for local equilibrium in a temperature gradient, Phys. Chem. Chem. Phys., 8 (2006), 2017-2027.
8. Stillinger, F.H., Weber, T.A., Molecular dynamics simulation for chemically reactive substances. Fluorine, J. Chem. Phys., 88 (1988), 5123-5133.
9. Hafskjold, B., Ikeshoji, T., Ratkje, S.K., On the molecular mechanism of thermal-diffusion in liquids, Mol. Phys., 80 (1993), 1389-1412.