CVBedeaux-Short-Jan08 - Institutt for kjemi

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Dick Bedeaux, CV short

Born Sept. 19. 1941, in The Hague, Netherlands. Married to: Signe H. Kjelstrup. Four children in first marriage.

Education

Master degree in Theoretical Physics, Utrecht University, The Netherlands, November 1964.

PhD degree for a thesis on " The relation between the virial coefficients and the scattering operator". Advisor Prof.

Dr. N.G. van Kampen at the Institute for Theoretical Physics, Utrecht University, The Netherlands, May 1969

Present postion:

Professor II

Institutt for kjemi, Norges Teknisk Naturvitenskapelige Universitet, 7491 Trondheim, Norway

Office phone: +47 73 594142

Mobile phone: +47 48 062161

Email: dick.bedeaux@chem.ntnu.no

Group homepage: http://www.chem.ntnu.no/nonequilibrium-thermodynamics/

Positions held, including sabbaticals abroad

-Postdoctoral fellow with Prof. Dr. K.E. Shuler, Department of Chemistry,

University of California at San Diego, La Jolla, California, USA

-Visiting professor at the Institut für Theoretische Physikalische Chemie,

Wolfgang Goethe Universität, Frankfurt, Germany (BRD)

-Research associate, Instituut-Lorentz, University of Leiden, The Netherlands

1969 - 1971

1971 - 1972

1972 - 1981

-Professor of Theoretical Physics, Institutt for Teoretisk Fysikk,

Norges Tekniske Hogskole, Trondheim, Norway

-Professor of Physical Chemistry, Department of Physical and

Macromolecular Chemistry, University of Leiden, The Netherlands

-Visiting professor University of Kyoto,

-Visiting professor University of Barcelona,

-Professor II of Physical Chemistry, Department of Chemistry, Norwegian

University of Science and Technology, Trondheim, Norway

1981 - 1983

1984 - 2006

April - October 2000

February-June 2004

2003 - now

Honours

-Masters degree Cum Laude

-Elected as Foreign Member of the “Norwegian Academy of Technical Sciences”

-Onsager medal for his contribution to the formulation of the

Onsager reciprocal relations for surfaces

-Elected as “Fellow of the American Physical Society” for “his contribution to the

1964

1996-present

Dec. 1997

statistical physics and non-equilibrium thermodynamics of surfaces”

-Onsager professor, Institute of Physical Chemistry, NTNU, Trondheim, Norway

-Guest professor at the Department of Mathematics, University

of Strathclyde, Glasgow, UK.

-Main address at a symposium in commemoration of

Prof. Dr. R. Kubo, Tokyo Institute of Technology, Japan

-Guest professor at the Department of Fundamental Energy Science,

Faculty of Energy Science, Kyoto University, Japan.

-Symposium on the occasion of 60 th birthday:

Optical and thermodynamic properties of surfaces.

-Festschrift on the occasion of 60 th birthday: Statistical Thermodynamics and

Colloid Science. Published as issue 298 of Physica A

1997-present

1997 - 1998

1997-2005

Sept. 1998

2000

Sept. 2001

-Guest professor University of Barcelona,

-Front page Physical Chemistry Chemical Physics

-Invitation for extraordinary sabbatical at Centre of Advanced studies

Sept. 2001

2004

Issue 17, 2006

2007-2008

Dr. (Ing.) Students graduated by Dick Bedeaux since 2003, and students in progress

23.

K.I. Skau (M), September 2003, Surface rigidities.

24. Audun Røsjorde (M), Minimization of entropy production in separate and connected processes, 2004

25. Eivind Johannessen (M), The state of minimum entropy production in an optimally controlled system, 2004

26. Valeriya Ratushna (F), Collective behavior of self-propelling particles with conservative kinematic constraints,

2007

27. Jing Xu (F), 28. Kirill S. Glavatskiy (M), Joris Kuipers (M)

Editorships

Advisory editor of the journal: Physica A

Advisory editor of the “Journal of Non-Equilibrium Thermodynamics”

1987-present

1996-present

Selected publications since 2003 (the number refer to the number in the publication list).

Description of research, present lines and highlights from last years

Our group is concerned with development of a thermodynamically founded theory of transport, non-equilibrium thermodynamics. There are several lines of research described below by the four following headings.

1. Non-equilibrium thermodynamics for surfaces

Together with Signe Kjelstrup I have developed the theory of non-equilibrium thermodynamics for surfaces to a stage where a book will appear on World Scientific in 2008 as Vol.16 in their Series on Statistical Mechanics.

The book is a synthesis of many of the earlier works and works listed below. A non-equilibrium generalization of the square gradient model for the liquid-vapor interface due to van der Waals has been given which makes it possible to describe evaporation and condensation. The validity of the local equilibrium hypothesis for the Gibbs excess densities of the non-equilibrium surface was verified the transfer coefficients for heat and mass transfer through the surface were calculated. Integral relations for these transfer coefficients were derived. This is described in no. 194 and is one of the highlights of this work.

174. D. Bedeaux, E. Johannessen and A. Røsjorde, The Non-equilibrium van der Waals Square Gradient

Model I: The Model and its Numerical Solution, Physica A 330 (2003) 329-353.

175. E. Johannessen and D. Bedeaux, The Non-equilibrium van der Waals Square Gradient Model II: Local

Equilibrium of the Gibbs Surface, Physica A 330 (2003) 354-372.

177. D. Bedeaux and S. Kjelstrup, Irreversible thermodynamics – a tool to describe phase transitions far from global equilibrium, Chem. Eng. Sci. 59 (2004) 109-118.

178. E. Johannessen and D. Bedeaux, The Non-equilibrium van der Waals Square Gradient Model III: Heat and

Mass Transfer Coefficients, Physica A 336 (2004) 252-270.

179. D. Bedeaux, Non-equilibrium Thermodynamic Description of the Three-Phase Contact Line,

J. Chem. Phys. 120 (2004) 3744-3748.

181. A. K. Meland, D. Bedeaux and S. Kjelstrup, A Gerischer Phase Element in the Impedance Diagram of the

Polymer Electrolyte Fuel Cell Anode, J. Phys. Chem. B 109 (2005) 21380-21388.

186. D. Bedeaux and S. Kjelstrup, Heat, mass and charge transport and chemical reactions at surfaces,

Int. J. of Thermodynamics 8 (2005) 25-41.

189. L. Zhu, G.J.M. Koper and D. Bedeaux, Heats of Transfer in the Diffusion Layer before the Surface and the

Surface Temperature for a Catalytic Hydrogen Oxidation (H-2+(1/2)O-2=H2O) Reaction.

J. Phys. Chem. A 110 (2006) 4080-4088.

193. A.K. Meland, S. Kjelstrup and D. Bedeaux, Rate-limiting proton hydration in the anode of the polymer electrolyte fuel cell, J. Membr. Sci., 282 (2006) 96-108.

194. E. Johannessen and D. Bedeaux, Integral Relations for the Heat and Mass Transfer Resistivities of the

Liquid-Vapor Interface. Physica A 370 (2006) 258-274.

196. D. Bedeaux, S. Kjelstrup and H.C. Öttinger, On a possible difference between the barycentric velocity and the velocity that gives translational momentum in fluids, Physica A, A371 (2006) 177-187

197. H. Nakajima, T. Nohira, Y. Ito, S. Kjelstrup and D. Bedeaux, The surface adsorption of hydride ions and hydrogen atoms on Zn studied by electrochemical impedance spectroscopy with a non-equilibrium thermodynamic formulation. J. Non-Equil. Thermodyn. 31 (2006) 231-255.

199. D. Bedeaux, S. Kjelstrup. L. Zhu, G.M. Koper, Nonequilibrium thermodynamics – A tool to describe heterogeneous catalysis, Phys. Chem. Chem. Phys., 8 (2006) 1-7.

200. E. Johannessen and D. Bedeaux, Integral Relations for the Interfacial Heat and Mass Transfer Resistivities and the Inverted Temperature Profile. Physics of Fluids 19 (2007) 017104, 1-7.

206. J. Ge, D. Bedeaux, J.M. Simon and S. Kjelstrup, Integral relations, a simplified method to find interfacial resistivities for heat and mass transfer, Physica A 385 (2007) 421-432

2. Non-equilibrium molecular dynamics

Molecular dynamics simulations are used to obtain the equilibrium properties as well as the transfer coefficients for the surface. The validity of the local equilibrium hypothesis for the Gibbs excess densities of the non-equilibrium surface has been verified in these simulations. The transfer coefficients for heat and mass transfer were calculated.

The validity of the integral relations was verified. New transfer coefficients were calculated in this manner. A highlight is no. 190 (which gave a prize to the student from Int. Soc. of Thermodynamics) which verified the validity of the Onsager relations for the surface..

180. J-M. Simon, S. Kjelstrup, D. Bedeaux, and B. Hafskjold, Thermal flux through a surface of n-octane. A non-equilibrium molecular dynamics study, J. Phys. Chem. B 108 (2004) 7186-7195

190. J. Xu, S. Kjelstrup, D. Bedeaux, A. Røsjorde and L. Rekvig, Verification of Onsager’s reciprocal relations for evaporation and condensation using non-equilibrium molecular dynamics simulations,

J. Colloids and Interface Sci. 299 (2006) 452-463.

191. J. Xu, S. Kjelstrup and D. Bedeaux, Molecular dynamics simulations of a chemical reaction; conditions for local equilibrium in a temperature gradient, Phys. Chem. Chem. Phys. 8 (2006) 2017-2027.

198. J.-M. Simon, S. Kjelstrup, D. Bedeaux, J. Xu, E. Johannessen, Interface film transfer coefficients Verification of integral relations by nonequilibrium molecular dynamics simulations, J. Phys.Chem. B, 110 (2006) 18528-18536

201. J. Xu, S. Kjelstrup, D. Bedeaux, J.M. Simon, Transport properties of 2F = F

2

in a temperature gradient as studied by molecular dynamics simulations. Phys. Chem. Chem. Phys., 9 (2007) 969 – 981.

203. J. Xu, S. Kjelstrup, D. Bedeaux and J.M. Simon, The heat of transfer in a reacting mixture at local chemical equilibrium, J. Non-Equilib. Thermodyn. 32 (2007) 1-9.

205. J. Ge, S. Kjelstrup, D. Bedeaux, J.M. Simon and B. Rousseau, Transfer coefficients for evaporation of a system with a Lennard-Jones long-range spline potential. Phys. Rev. E., 75 (2007) 061604.

208. J.M. Simon, I. Inzoli, D. Bedeaux and S. Kjelstrup, Numerical evidence for a thermal driving force during adsorption of butane in silicalite, Mol. Sim., 33 (2007) 839-841.

209. I. Inzoli, J.M. Simon, S. Kjelstrup and D. Bedeaux, Thermal effects during adsorption of n butane on a silicalite-1 membrane: A non-equilibrium molecular dynamics study. J. Colloid and Interf. Sci. 313 (2007) 1-11.

3. Mesoscopic non-equilibrium thermodynamics

A new line of research which will be followed-up in the future, is mesoscopic non-equilibrium thermodynamics.

This theoretical development will be particularly interesting for analysis of biological transport processes, molecular motors, systems biology. A highlight is no. 185.

176. D. Bedeaux, S. Kjelstrup and J.M. Rubi, Nonequilibrium translational effects in evaporation and condensation, J. Chem. Phys. 119 (2003) 9163 -9170.

183. S. Kjelstrup, J.M. Rubi, and D. Bedeaux, Active transport: A kinetic description on thermodynamic grounds, J. Theoretical Biology, 234 (2005) 7-12.

185. S. Kjelstrup, J.M. Rubi and D. Bedeaux, Energy dissipation in slipping biological pumps, Phys. Chem.

Chem. Phys. 7 (2005) 4009-4018.

195. J.M. Rubi, D. Bedeaux and S. Kjelstrup, Thermodynamics for small molecule stretching experiments, J.

Phys. Chem. B, 110 (2006) 12733-12737.

207. J. M. Rubi, D. Bedeaux and S. Kjelstrup, Unifying thermodynamic and kinetic descriptions of singlemolecule processes: RNA unfolding under tension, J. Phys.Chem. B 111 (2007) 9598-9602.

210. J. Ortiz de Zarate, J. Sengers, D. Bedeaux and S. Kjelstrup, Concentration fluctuations in nonisothermal reaction-diffusion systems, J. Chem. Physics 127 (2007) 034501

211. J. M. Rubi, M. Naspreda, S. Kjelstrup and D. Bedeaux Energy Transduction in Biological Systems: A

Mesoscopic Non-Equilibrium Thermodynamics Perspective, J. Non-Equilib. Thermodyn. 32 (2007) 351-3

4. The response of double layers on applied electric fields

In this work the double layer is treated using the extension of the general method developed by Gibbs using a time dependent excess polarization. Earlier results could in this way be obtained in a simpler manner. For the dielectric enhancement of colloidal solutions analytic expressions could be given. A systematic comparison with results using available computer software is now being made.

170. C. Chassagne, D. Bedeaux and G.J.M. Koper, Dielectric Response of Colloidal Spheres in Non-Symmetric

Electrolytes, Physica A 317 (2003) 321-344.

171. C. Chassagne and D. Bedeaux, Dielectric Response of Charged Spheres: Interpolation Formulae linking the low and high Zeta-Potential Expressions, Physica A 317 (2003) 345-353.

172. C. Chassagne, D. Bedeaux, J.P.M. van der Ploeg and G.J.M. Koper, Polarization between Concentric

Cylindrical Electrodes, Physica A 326 (2003) 129-140.

173. C. Chassagne, D. Bedeaux and G.J.M. Koper, Dielectric Spectroscopy Measurements on Latex

Dispersions, Langmuir 19 (2003) 3619-3627.

188. C. Chassagne, D. Bedeaux, J.P.M. van der Ploeg and G.J.M. Koper, Electrically Induced Anisotropy in a

Colloidal Dispersion of Nanospheres as Measured by Electric Birefringence,

J. of Colloid and Interface Sc. 295 (2006) 528-534.

5. The collective behavior of self-propelling particles

The dynamics of systems consisting of self-propelling particles is of great interest because of the phenomenon of the emergence of ordered motion. Examples of such systems are flocks of birds and schools of fishes. Much in the description of this transition is not yet understood. We developed a hydrodynamic model and were able to reproduce some of the results from the more usual discrete models. The non-equilibrium behavior is now studied.

184. V.L. Kulinski, V.I. Ratushnaya, A.V. Zvelindovsky and D. Bedeaux, Hydrodynamic Model for a System of

Self-Propelling Particles with Conservative Kinematic Constraints,Euro Physics Letters, 71 (2005) 207-213.

192. V.I. Ratushnaya, V.L. Kulinski, A.V. Zvelindovsky and D. Bedeaux, Hydrodynamic Model for a System of

Self-Propelling Particles with Conservative Kinematic Constraints; Two Dimensional Stationary Solutions.

Physica A 366 (2006) 107-114.

202. V.I. Ratushnaya, D. Bedeaux, V.L. Kulinskii and A.V. Zvelindovsky, Stability Properties of the Collective

Stationary Motion of Self-Propelling Particles with Conservative Kinematic Constraints

J. Phys. A 40 (2007) 2573-2581.

204. V.I. Ratushnaya, D. Bedeaux, V.L. Kulinskii and A.V. Zvelindovsky, Collective Behavior of Self

Propelling Particles with Kinematic Constraints; The relation between the discrete and the continuous description. Physica A 381 (2007) 39-46.

Books

Non-equlibrium thermodynamics of heterogeneous systems

With Signe Kjelstrup, in Series on Advances in Statistical Mechanics, Vol.16, World Scientific, 2008 in print

Elements of Irreversible Thermodynamics for Engineers, With Signe Kjelstrup

Int. Center of Applied Thermodynamics, Istanbul, Turkey, 2000.

ISBN: 975-97568-1-1 Amazone.com

With Signe Kjelstrup and Eivind Johannessen, Tapir Akademiske forlag, 2006

Optical properties of surfaces, With Jan Vlieger, Imperial College Press, London, UK, 2002

2nd. revised edition, 2004.

Patent

S. Kjelstrup, T.V. Island, E. Sauar, and D. Bedeaux, Fremgangsmåte for optimalisering av entropiproduksjon i en eller flere kjemiske prosesser

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