Faculty Department of Chemistry  
Non-equilibrium thermodynamics
Open Position  



Popular science:


Science policy:


Journal articles:



van Erp, Titus Sebastiaan; Trinh, Thuat; Kjelstrup, Signe; Glavatskiy, Kirill. 
On the relation between the Langmuir and thermodynamic flux equations. Frontiers in Physics 2013 ;Volume 1.(1) p. 30 doi: 10.3389/fphy.2013.00036

Bentien, A; Okada, Tatsuhiro; Kjelstrup, Signe. 
Evaluation of Nanoporous Polymer Membranes for Electrokinetic Energy Conversion in Power Applications. The Journal of Physical Chemistry C 2013 ;Volume 117.(4) p. 1582-1588

Burheim, Odne Stokke; Ellila, Georg; Fairweather, JD; Labouriau, A; Kjelstrup, Signe; Pharoah, JG. 
Ageing and thermal conductivity of Porous Transport Layers (PTL/GDL) used for PEM Fuel Cells. Journal of Power Sources 2013 ;Volume 221. p. 356-365

Burheim, Odne Stokke; Ellila, Georg; Fairweather, JD; Labouriau, A; Kjelstrup, Signe; Pharoah, John George. 
Ageing and thermal conductivity of Porous Transport Layers used for PEM Fuel Cells. Journal of Power Sources 2013 ;Volume 221. p. 356-365

Burheim, Odne Stokke; Seland, Frode; sandbakk, katrine dretvik; Pharoah, John George; Kjelstrup, Signe. 
Reverse Electrodialysis (RED) - A Renewable Energy Source for Hydrogen Production. Hydrogen and Fuel Cells 2013; 2013-06-16 - 2013-06-19

Børset, Marit Takla; Kamfjord, Nils Eivind; Tveit, Halvard; Kjelstrup, Signe. 
Energy and exergy analysis of the silicon production process. Energy 2013 ;Volume 58. p. 138-146

Glavatskyy, Kyrylo; Pharoah, Jon; Kjelstrup, Signe. 
Thermal phenomena associated with water transport across a fuel cell membrane: Soret and Dufour effects. Journal of Membrane Science 2013 ;Volume 431.(March) p. 96-104

Kjelstrup, Signe; Haynes, William M.. 
Expanded Focus on Non-equilibrium Thermodynamics. International journal of thermophysics 2013 ;Volume 34.(7) p. 1167-1168

Kjelstrup, Signe; Vie, Preben Joakim Svela; Akyalcin, L.; Zefaniya, Papy; Pharoah, JG; Burheim, Odne Stokke. 
The Seebeck coefficient and the Peltier effect in a polymer electrolyte membrane cell with two hydrogen electrodes. Electrochimica Acta 2013 ;Volume 99. p. 166-175

Krüger, Peter; Schnell, Sondre Kvalvåg; Bedeaux, Dick; Kjelstrup, Signe; Vlugt, Thijs; Simon, Jean-Marc. 
Kirkwood-Buff Integrals for Finite Volumes. Journal of Physical Chemistry Letters 2013 ;Volume 4.(2) p. 235-238

Lervik, Anders; Bedeaux, Dick; Kjelstrup, Signe. 
Active transport of the Ca2+-pump: introduction of the temperature difference as a driving force. European Biophysics Journal 2013 ;Volume 42. p. 321-331

Lervik, Anders; Kjelstrup, Signe. 
Describing transport across complex biological interfaces. The European Physical Journal Special Topics 2013 ;Volume 222.(1) p. 143-159

Liu, Xin; Schnell, Sondre K.; Simon, Jean-Marc; Krüger, Peter; Bedeaux, Dick; Kjelstrup, Signe; Bardow, André; Vlugt, Thijs. 
Diffusion Coefficients from Molecular Dynamics Simulations in Binary and Ternary Mixtures. International journal of thermophysics 2013 ;Volume 34.(7) p. 1169-1196

Rubi, J.M.; Bedeaux, Dick; Kjelstrup, Signe; Pagonabarraga, Ignacio. 
Chemical Cycle Kinetics: Removing the Limitation of Linearity of a Non-equilibrium Thermodynamic Description. International journal of thermophysics 2013 ;Volume 34.(7) p. 1214-1228

Sandbakk, Katrine Dretvik; Bentien, A; Kjelstrup, Signe. 
Thermoelectric effects in ion conducting membranes and perspectives for thermoelectric energy conversion. Journal of Membrane Science 2013 ;Volume 434. p. 10-17

Schnell, Sondre K.; Englebienne, Pablo; Simon, Jean-Marc; Krüger, Peter; Balaji, Sayee P.; Kjelstrup, Signe; Bedeaux, Dick; Bardow, André; Vlugt, Thijs J.H.. 
How to apply the Kirkwood-Buff theory to individual species in salt solutions. Chemical Physics Letters 2013 ;Volume 582. p. 154-157

Sinha, Santanu; Hansen, Alex; Bedeaux, Dick; Kjelstrup, Signe. 
Effective rheology of bubbles moving in a capillary tube. Physical Review E. Statistical, Nonlinear, and Soft Matter Physics 2013 ;Volume 87.(2) p. 025001-5

Trinh, Thuat; Kjelstrup, Signe; Vlugt, Thijs J.H.; Bedeaux, Dick; Hagg, May-Britt. 

Voldsund, Mari; Ertesvåg, Ivar Ståle; He, Wei; Kjelstrup, Signe. 
Exergy analysis of the oil and gas processing on a North Sea oil platform a real production day. Energy 2013 ;Volume 55. p. 716-727

Struchtrup, H., Kjelstrup, S., & Bedeaux, D. (2013). Analysis of temperature difference driven heat and mass transfer in the Phillips–Onsager cell.International Journal of Heat and Mass Transfer, 58(1), 521-531.


Burheim, O. S., Ellila, G., Fairweather, J. D., Labouriau, A., Kjelstrup, S., & Pharoah, J. G. (2012). Ageing and thermal conductivity of Porous Transport 1 Layers used for PEM FuelCells. Journal of Power Sources.

Villaluenga, JPG; Kjelstrup, Signe.
A non-equilibrium thermodynamics model of multicomponent mass and heat transport in pervaporation processes. Journal of Non-Equilibrium
Thermodynamics 2012 ; Volum 37.(4) 353-376

Struchtrup, H., Kjelstrup, S., & Bedeaux, D. (2012). Temperature-difference-driven mass transfer through the vapor from a cold to a warm liquid. Physical Review E, 85(6), 061201.

Skorpa, R., Voldsund, M., Takla, M., Schnell, S. K., Bedeaux, D., & Kjelstrup, S. (2012). Assessing the coupled heat and mass transport of hydrogen through a palladium membrane. Journal of Membrane Science.

Schnell, S. K., Vlugt, T. J., Simon, J. M., Bedeaux, D., & Kjelstrup, S. (2012). Thermodynamics of small systems embedded in a reservoir: a detailed analysis of finite size effects. Molecular Physics, 110(11-12), 1069-1079.

Savin, T., Glavatskiy, K. S., Kjelstrup, S., Öttinger, H. C., & Bedeaux, D. (2012). Local equilibrium of the Gibbs interface in two-phase systems. EPL (Europhysics Letters), 97(4), 40002.

Ning, F., Yu, Y., Kjelstrup, S., Vlugt, T. J., & Glavatskiy, K. (2012). Mechanical properties of clathrate hydrates: status and perspectives. Energy & Environmental Science.

Liu, X., Calvo, A. M., McGarrity, E., Schnell, S., Calero, S., Simon, J. M., ... & Vlugt, T. J. (2012). Fick Diffusion Coefficients in Ternary Liquid Systems from Equilibrium Molecular Dynamics Simulations. Industrial & Engineering Chemistry Research.

Lervik, Anders, Fernando Bresme, and Signe Kjelstrup. "Molecular dynamics simulations of the Ca2+-pump: a structural analysis." Physical Chemistry Chemical Physics 14.10 (2012): 3543-3553.

Lervik, Anders, et al. "On the Thermodynamic Efficiency of Ca< sup> 2+</sup>-ATPase Molecular Machines." Biophysical Journal 103.6 (2012): 1218-1226.

Lervik, Anders, Dick Bedeaux, and Signe Kjelstrup. "Kinetic and mesoscopic non-equilibrium description of the Ca 2+ pump: a comparison." European Biophysics Journal (2012): 1-12.

Glavatskiy, K. S., T. J. H. Vlugt, and S. Kjelstrup. "Toward a Possibility To Exchange CO2 and CH4 in sI Clathrate Hydrates." The Journal of Physical Chemistry B 116.12 (2012): 3745-3753.

Odne Burheim, Frode Seland, Jon Pharoah and Signe Kjelstrup,
Improved Electrode Systems for Reverse Electro-Dialysis and Electro-Dialysis
Desalination 285 (2012) 147-152
DOI: 10.1016/j.desal.2011.09.048


Xin Liu, Sondre Schnell, Jean-Marc Simon, Dick bedeaux, Signe Kjelstrup, Andrè Bardow and Thijs J.H. Vlugt,
Fick diffusioncoefficients of liquid mixtures directly obtained from equilibrium molecular dynamics,
J. Phys. Chem. (2011)
DOI: dx.doi.org/10.1021/jp208360s

Dick Bedeaux, José M. Ortiz de Zárate, Ignacio Pagonabarraga, Jan V. Sengers, Signe Kjelstrup,
Concentration fluctuations in non-isothermal reaction-diffusion systems II: The non-linear case
J. Chem. Phys. 135 (2011)

Sondre Schnell , Xin Liu , Jean Marc Simon , André Bardow , Dick Bedeaux , Thijs J. H. Vlugt , and Signe Kjelstrup,
Calculating Thermodynamic Properties from Fluctuations at Small Scales
J. Phys. Chem. B (2011)
DOI: 10.1021/jp204347p

Elena García-Pérez, Sondre K. Schnell, Juan M. Castillo, Sofia Calero, Signe Kjelstrup, David Dubbeldam, and Thijs J. H. Vlugt,
External Surface Adsorption on Silicalite-1 Zeolite Studied by Molecular Simulation
J. Phys. Chem. C, 115 (31) 2011, pp 15355-15360
DOI: 10.1021/jp201570z

Isabella Inzoli, Signe Kjelstrup, Dick Bedeaux, Jean-Marc Simon
Transfer coefficients for the liquid-vapor interface of a two component mixture.
Chem. Eng. Sci. 66 (2011) 4533- 4548
DOI: 10.1016/j.ces.2011.06.011

L. van der Ham and S. Kjelstrup
Improving heat integration of distillation columns in a cryogenic air separation unit.
Ind. Eng. Chem. Res. 50 (2011) 9324-9338

Sondre K. Schnell, Thijs J.H. Vlugt, Jean-Marc Simon, Dick Bedeaux, Signe Kjelstrup,
Thermodynamics of a small system in a μT reservoir.
Chemical Physics Letters 504 (2011) 199-201

Jose M. Ortiz de Zarate, Dick Bedeaux, Ignacio Pagonabarraga, Jan V. Sengers, Signe Kjelstrup,
Nonisothermal diffusion-reaction with nonlinear Kramers kinetics.
C. R. Mecanique (2011)

J. ter Horst, D. Bedeaux and S. Kjelstrup,
The role of temperature in nucleation processes.
J. Chem. Phys. 134, 054703 (2011);
Vir. J. Nanoscale Science & Technology 23 (2011)

D. Mendoza, S.Kjelstrup
Modeling a non-equilibrium distillation stage using irreversible thermodynamics.
Chem. Eng. Sci. (2011)
DOI: 10.1016/j.ces.2011.03.023

I. Inzoli, S.Kjelstrup, D.Bedeaux, J.M.Simon
Thermodynamic properties of a liquid-vapor interface in a two-component system.
Chem. Eng. Sci (2011)
DOI: 10.1016/j.ces.2010.04.041

Odne Burheim, Signe Kjelstrup, J.G. Pharoah, Preben J.S. Vie, Steffen Moller-Holst,
Calculation of reversible electrode heats in the proton exchange membrane fuel cell from calorimetric measurements.
Electrochimica Acta 56 (2011) 3248-3257
DOI: 10.1016/j.electacta.2011.01.034


L.V. van der Ham, J. Gross, S. Kjelstrup
Two performance indicators for the characterization of the entropy production in a process unit.
Energy (2010)

O. Burheim, J. G. Pharoah, H. Lampert, P.J.S. Vie, S. Kjelstrup,
Through-plane thermal conductivity of PEMFC porous transport layers,
J. Fuel Cell Science and Technology, 8 (2010) 021013-1, 021013-11

S. Kjelstrup and D. Bedeaux,
Applied Thermodynamics of Fluids, ed. A.R. H. Goodwin, J.V. Sengers, and C. J. Peters.
Applied Non-Equilibrium Thermodynamics, Ch.14, RSC Publishing, Cambridge, 2010,
ISBN: 978-1-84755-806-0

O. Wilhelmsen, E. Johannesen and S. Kjelstrup,
Energy efficient reactor design simplified by second law analysis.
Int. J. Hydrogen Res. 35 (2010) 13219-12231
DOI: 10.1016/j.ijhydene.2010.08.118

L.V van der Ham and S. Kjelstrup
Exergy analysis of two cryogenic air separation processes.
Energy 35 (2010) 4731-4739
DOI: 10.1016/j.energy.2010.09.019

S. Kjelstrup, M-O Coppens, J. G. Pharoah and P. Pfeifer,
Nature-Inspired Energy- and Material- Efficient Design of a Polymer Electrolyte Membrane Fuel Cell.
Energy & Fuels, 24 (2010) 5097-5108
DOI: 10.1021/ef100610w

D. Bedeaux, I. Pagonabarraga, J. M. Ortiz de Zarate, J.V. Sengers and S. Kjelstrup
Mesoscopic non-equilibrium thermodynamics of non-isothermal reaction-diffusion.
Phys. Chem. Chem. Phys.12 (2010) 12780-12793
DOI: 10.1039/c0cp00289e
Vir. J. Nanoscale Science & Technology 23 (2011) Issue 6

Isabella Inzoli, S. Kjelstrup, D. Bedeaux, J.M. Simon,
Thermodynamic properties of a liquid-vapor interface in a two-component system.
Chem. Eng. Sci. 65 (2010) 4105-4116
DOI: 10.1016/j.ces.2010.04.041

J.M. Simon, O.E. Haas, S. Kjelstrup
Adsorption and Desorption of H2 on Graphite by Molecular Dynamics Simulations.
J. Phys. Chem. C, 114 (2010) 10212-10220
DOI: 10.1021/jp1011022

L.V. van der Ham, R. Bock, S.Kjelstrup
Modelling the coupled transfer of mass and thermal energy in the vapour-liquid region of a nitrogen-oxygen mixture.
Chem. Eng. Sci. 65 (2010) 2236-2248

A. Lervik, F. Bresme, S. Kjelstrup, D. Bedeaux and J.M. Rubi,
Heat transfer in protein-water interfaces.
Phys. Chem. Chem. Phys. 12 (2010) 1610-1617
DOI: 10.1039/b918607g

O.-E. Haas, J.M. Simon, S. Kjelstrup,
Surface Self-Diffusion and Mean Displacement of Hydrogen on Graphite and a PEM Fuel Cell Catalyst Support.
J. Phys. Chem. C. 113 (2010) 20281-20289
DOI 10.1021/jp902491s

O. Burheim, P.J.S. Vie, S. Moller-Holst, J. Pharoah and S. Kjelstrup.
A calorimetric analysis of a polymer electrolyte fuel cell and production of hydrogen peroxide at the cathode.
Electrochim. Acta. 55 (2010) 935-942

O. Burheim, P.J.S. Vie, J. Pharoah, S.Kjelstrup
Ex situ measurements of through-plane thermal conductivities in a polymer electrolyte fuel cell.
J. Power Sources, 195 (2010) 249-256

Transport of heat and mass in a two-phase mixture: From a continuous to a discontinuous description. K. S. Glavatskiy and D. Bedeaux. THE JOURNAL OF CHEMICAL PHYSICS 133, 144709 (2010)

Mesoscopic non-equilibrium thermodynamics of non-isothermal reaction-diffusion. D. Bedeaux, I.Pagonabarraga, J. M. Ortiz de Zarate, J. V. Sengers and S. Kjelstrup. Phys. Chem. Chem. Phys., 2010, 12, 12780-12793

Thermodynamic properties of a liquid-vapor interface in a two-component system. I. Inzoli, S. Kjelstrup, D. Bedeaux, J. M. Simon. Chemical Engineering Science 65 (2010) 4105-4116

Heat transfer in protein-water interfaces. Anders Lervik, Fernando Bresme, Signe Kjelstrup, Dick Bedeaux and J. Miguel Rubi. Phys. Chem. Chem. Phys., 2010, 12, 1610-1617

Ex situ measurements of through-plane thermal conductivities in a polymer electrolyte fuel cell. O.Burheima, P.J.S.Vie, J.G.Pharoah, S.Kjelstrup. Journal of Power Sources 195 (2010) 249-256.


Nonequilibrium thermodynamics of transport through moving interfaces with application to bubble growth and collapse. Hans Christian Öttinger, Dick Bedeaux, David C. Venerus. PHYSICAL REVIEW E 80, 021606 (2009)

Numerical solution of the nonequilibrium square-gradient model and verifcation of local equilibrium for the Gibbs surface in a two-phase binary mixture. K. S. Glavatskiy and D. Bedeaux. PHYSICAL REVIEW E 79, 031608 (2009)

Surface Self-Diffusion and Mean Displacement of Hydrogen on Graphite and a PEM Fuel Cell Catalyst Support. Ole-Erich Haas, Jean-Marc Simon, and Signe Kjelstrup. J. Phys. Chem. C, 2009, 113 (47), pp 20281-20289

A calorimetric analysis of a polymer electrolyte fuel cell and the production of H2O2 at the cathode. Odne Burheim, Preben J. S. Vie, Steffen Moller-Holst, Jon Pharoah and Signe Kjelstrup. Electrochim Actal 31.08.2009.

Efficient Conversion of Thermal Energy into Hydrogen: Comparing Two Methods to Reduce Exergy Losses in a Sulfuric Acid Decomposition Reactor. Leen V.van der Ham, Joachim Gross, Ad Verkooijen, and Signe Kjelstrup. Ind. Eng. Chem. Res. 2009, 48, 8500-8507.

Transport coefficients of n-butane into and through the surface of silicalite-1 from non-equilibrium molecular dynamics study. I.Inzoli, S.Kjelstrup, D.Bedeaux, J.M.Simon. Microporous and Mesoporous Materials 125 (2009) 112-125.

A non-equilibrium thermodynamics approach to model mass and heat transport for water pervaporation through a zeolit emembrane. Jelan Kuhn, Robert Stemmer, Freek Kapteijn, Signe Kjelstrup, Joachim Gross. Journal of Membrane Science 330 (2009) 388-398.

Coefficients for Active Transport and Thermogenesis of Ca2+ATPase Isoforms. Signe Kjelstrup, Daniel Barragan, and Dick Bedeaux. Biophysical Journal 96, 2009, 4376-4386.

Surface Adsorption Isotherms and Surface Excess Densities of n-Butane in Silicalite-1. Isabella Inzoli, Jean-Marc Simon, and Signe Kjelstrup. Langmuir 2009, 25, 1518 1525.

Heat transfer in soft nanoscale interfaces: the influence of interface curvature. Anders Lervik, Fernando Bresme and Signe Kjelstrup. Soft Matter, 2009, 5, 2407-2414 | 2409.

Coupled Heat and Mass Transfer during Crystallization of MgSO4*7H2O on a Cooled Surface. F. Elif Genceli, Marcos Rodriguez Pascual, Signe Kjelstrup, and Geert-Jan Witkamp. Cryst. Growth Des., 2009, 9 (3), pp 1318-1326.


Nonequilibrium thermodynamics of interfaces using classical density functional theory. Eivind Johannessen, Joachim Gross, and Dick Bedeaux. THE JOURNAL OF CHEMICAL PHYSICS 129, 184703 (2008)

The dielectric response of a colloidal spheroid. C. Chassagne and D. Bedeaux. J. Colloid Interface Sci. (2008), doi:10.1016/j.jcis.2008.06.055

Nonequilibrium properties of a two-dimensionally isotropic interface in a two-phase mixture as described by the square gradient model. K. S. Glavatskiy and D.Bedeaux. PHYSICAL REVIEW E 77, 061101 2008

Thermophoresis. P. Geelhoed, J. Westerweel, S. Kjelstrup, D. Bedeaux. Microfluids (2008) 2061-2064.

The measurable heat flux that accompanies active transport by Ca2+-ATPase. D. Bedeaux and S. Kjelstrup. Phys. Chem. Chem. Phys., 2008, 10, 7304-7317

Thermal Diffusion and Partial Molar Enthalpy Variations of n-Butane in Silicalite-1. I. Inzoli, J.-M. Simon, D. Bedeaux, S. Kjelstrup. J. Phys. Chem. B, 2008, 112 (47), 14937-14951

Water Polarization under Thermal Gradients. F. Bresme, A. Lervik, D. Bedeaux, S. Kjelstrup. PRL 101, 020602 (2008).

Is the Ca2+-ATPase from sarcoplasmic reticulum also a heat pump? S. Kjelstrup, L. de Meis, D. Bedeaux, J.-M. Simon. Eur Biophys J (2008) 38:59-67

An Indicator to Evaluate the Thermodynamic Maturity of Industrial Process Units in Industrial Ecology. A. Zvolinschi and S. Kjelstrup. Journal of Industrial Ecology, 12 (2), 2008

Quasi-elastic Neutron Scattering Investigation of the Hydrogen Surface Self-Diffusion on Polymer Electrolyte Membrane Fuel Cell Catalyst Support. O.-E. Haas, J.-M. Simon, S. Kjelstrup, A.L. Ramstad, P. Fouquet, J. Phys. Chem. C 2008, 112, 3121-3125


Energy Transduction in Biological Systems: A Mesoscopic Non-Equilibrium Thermodynamics Perspective. J. Miguel Rubi, Manel Naspreda, Signe Kjelstrup and Dick Bedeaux. J. Non-Equilib. Thermodyn. (2007) Vol.32 pp.351-37

Collective behavior of self-propelling particles with kinematic constraints: The relation between the discrete and the continuous description. V. I. Ratushnaya, D. Bedeaux, V. L. Kulinskii and A. V. Zvelindovsky. Physica A 381 (2007) 39-46

Stability properties of the collective stationary motion of self-propelling particles with conservative kinematic constraints. V. I. Ratushnaya, D. Bedeaux, V. L. Kulinskii and A. V. Zvelindovsky. J. Phys. A: Math. Theor. 40 (2007) 2573-2581

Criteria for validity of thermodynamic equations from non-equilibrium molecular dynamics simulations. S. Kjelstrup, D. Bedeaux, I. Inzoli, J.-M. Simon. Energy 33 (2008) 1185- 1196

Anne-Kristine Meland, Signe Kjelstrup. Three steps in the anode reaction of the polymer electrolyte membrane fuel cell. Effect of CO. Journal of Electroanalytical Chemistry 610 (2007) 171-178.

A. Røsjorde, S. Kjelstrup , E. Johannessen , R. Hansen. Minimizing the entropy production in a chemical process for dehydrogenation of propan. Energy 32(2007) 335-343

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

J.-M. Simon, I. Inzoli, D. Bedeaux, S. Kjelstrup. Numerical evidence for a thermal driving force during adsorption of butane in silicalite. Molecular Simulation, Vol. 33, Nos. 9–10, 15–30 August 2007, 839–841

G.J.M. Koper, S. Kjelstrup, T. van de Ven, M. Sadeghi, W.J.M. Douglas. Entropy production for cylinder drying of linerboard and newsprint. Int. J. Heat and Mass Transfer 50 (2007) 1344-1355

J. Xu, S. Kjelstrup, D. Bedeaux, J.-M. Simon. Transport properties of 2F=F2 in a temperature gradient as studied by molecular dynamics simulations. Phys. Chem. Chem. Phys., 9 (2007), 969-981

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

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

C.L. Iandoli, S. Kjelstrup. Exergy analysis of a GTL process based on low-temperature slurry F-T reactor technology with a cobalt catalyst. Energy & Fuels, (2007)

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

J.M.O. de Zarate, J.V. Sengers, D. Bedeaux, S. Kjelstrup. Concentration fluctuations in nonisothermal reaction-diffusion systems. J. Chem. Phys 127 (2007), 034501

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


Dick Bedeaux, Signe Kjelstrup, Lianjie Zhu and Ger J. M. Koper. Nonequilibrium thermodynamics - A tool to describe heterogeneous catalysis. Phys. Chem. Chem. Phys., 2006, 8, 5421–5427

Anne-Kristine Meland, Signe Kjelstrup, Dick Bedeaux. Rate limiting proton hydration in the anode of the polymer electrolyte membrane fuel cell. J. Memb. Sci. 282 (2006) 96-108

J. M. Simon, D. Bedeaux, S. Kjelstrup, J. Xu, and E. Johannessen. Interface Film Resistivities for Heat and Mass Transfers. - Integral Relations Verified by Non-equilibrium Molecular Dynamics. J. Phys. Chem. B 2006, 110, 18528-18536

Dick Bedeaux, Signe Kjelstrup, Hans Christian Ottinger. On a possible difference between the barycentric velocity and the velocity that gives translational momentum in fluids. Physica A 371 (2006) 177–187.

J. M. Rubi, D. Bedeaux, and S. Kjelstrup. Thermodynamics for Single-Molecule Stretching Experiments. J. Phys. Chem. B 2006, 110, 12733-12737

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

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

A. Zvolinschi, E. Johannessen, and S. Kjelstrup, The second law optimal operation of a paper drying machine, Chem. Eng. Sci. 61 (2006) 3653-3662


S. Kjelstrup, J.M. Rubi and D. Bedeaux, Energy dissipation in slipping biological pumps, Phys. Chem. Chem. Phys. 7 (2005) 4009-4018

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

S. Kjelstrup and A. Røsjorde, Local and total entropy production and heat and water fluxes in a one-dimensional polymer electrolyte fuel cell, J Phys.Chem. B. 109 (2005) 9020-9033

D. Bedeaux and S. Kjelstrup. Heat, mass and charge transport and chemical reactions at surfaces, Int. J. of Thermodynamics 8 (2005) 25-41

E. Johannessen and S. Kjelstrup, A highway in state space for reactors with minimum entropy production, Chem. Eng. Sci., 60 (2005) 3347-3361

Stefan Gheorghiu, Signe Kjelstrup, Peter Pfeifer, and Marc-Olivier Coppens. Is the Lung an Optimal Gas Exchanger? In Fractals in Biology and Medicine IV, Losa, G., Merlini, D., Nonnenmacher, T.F. and Weibel, E.R.,eds., ISBN 3-7643-7172-2, Birkhauser, Heidelberg, 2005

A. Røsjorde and S. Kjelstrup, The second law optimal state of a diabatic binary tray distillation column. Chem. Eng. Sci. 60 (2005) 1199-1210

E. Johannessen and S. Kjelstrup. Nonlinear flux-force relations and equipartition theorems for the state of minimum entropy production, J. Non-Equilib. Thermodyn. 129 (2005) 136

E. Johannessen and S. Kjelstrup, Numerical evidence for a highway in state space, Chem. Eng. Sci., 60 (2005) 1491-1495

L. Nummedal, A. Røsjorde, E. Johannessen, and S. Kjelstrup, Second law optimization of a tubular steam reformer. Chem. Eng. Proc. 44 (2005) 429 - 440


G. De Koeijer and S. Kjelstrup, Application of irreversible thermodynamics to distillation, Int. J of Thermodynamics, 7 (2004) 107 – 114

E. Johannessen and S. Kjelstrup, Minimum entropy production rate in plug flow reactors: An optimal control problem solved for SO2 oxidation, Energy 29 (2004) 2403 – 2423

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

P.J.S. Vie and S. Kjelstrup, Thermal Conductivities from Temperature Profiles in the Polymer Electrolyte Fuel Cell. Electrochim. Acta, 49 (2004) 1069-1077

G. de Koeijer, E. Johannessen and S. Kjelstrup, The second law optimal path for a four- bed SO2 converter with intermediate heat exchange, Energy 29 (2004) 525-546

G. de Koeijer, A. Røsjorde and S. Kjelstrup, Distribution of heat exchange in optimum diabatic distillation columns, Energy 29 (2004) 2425-2440

S. Kjelstrup, A. Røsjorde, and E. Johannessen, Nonequilibrium Thermodynamics for Industry, Chapter 1, in Chemical Thermodynamics for Industry, Trevor Letcher, ed. Royal Society of Chemistry, Athaneum Press, Tyne and Wear, UK, 2004

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


D. Bedeaux, S. Kjelstrup and J.M. Rubi. Nonequilibrium translational effects in evaporation and condensation J. Chem. Phys. 119 (2003) 9163 -917

J.M. Rubi and S. Kjelstrup, Mesoscopic nonequilibrium thermodynamics gives the same thermodynamic basis to Butler-Volmer and Nernst equations, J. Phys. Chem. B 107 (2003) 13471-13477

L. Nummedal, S. Kjelstrup and M. Costea. Minimizing the entropy production rate of an exothermic reactor with constant heat transfer coefficient: The ammonia reaction, Ind. Chem. Eng. Res. 42 (2003) 1044-1056

S. Kjelstrup and G. de Koeijer. Transport equations for distillation of ethanol and water from the entropy production rate, Chem. Eng. Sci., 58 (2003) 1147-1161


S. Kjelstrup, T.Tsuruta, and D. Bedeaux. The inverted temperature profile across a vapor/liquid surface analysed by molecular dynamics computer simulations, Colloids and Interface Sci., 256 (2002) 451-461

M.-L- Olivier, J.-D. Rollier and S. Kjelstrup. Equilibrium properties and surface transfer coefficients from molecular dynamics simulations of two-component fluids, Colloids and Surfaces A: Physicochem. Eng. Aspects 210 (2002) 199-222

G. de Koeijer, S. Kjelstrup, P. Salamon, G.Siragusa, M. Schaller and K.H. Hoffmann. Comparison of Entropy production rate minimization methods for binary diabatic tray distillation, Ind. Eng. Chem. Res. 41 (2002) 5826-5834

P. Salamon, J.D. Nulton, G. Siragusa, A. Limon, D. Bedeaux and S. Kjelstrup A simple example of control to minimize entropy production, J. Non-Equilib. Thermodyn. 27 (2002) 45-55

G. de Koeijer, S. Kjelstrup, H. vd Kooi, B. Gross, K. F. Knoche and T. R. Andersen. Positioning heat exchangers in binary tray distillation using isoforce operation, Energy Conversion & Management, 43 (2002) 1571-1581


V. Blinov, S. Kjelstrup, D. Bedeaux and V. Sharivker, The Role of the Transported. Entropy of Lead Ions in Partially Thermostatted and Adiabatic Cells, J. Electrochem.Soc. 148 (2001) E364-371

S. Kjelstrup, E. Olsen and J. Qian, The Peltier heating of aluminium, oxygen and carbon – carbon dioxide electrodes in an electrolyte of sodium and aluminium fluorides saturated with alumina, Electrochim. Acta, 46 (2001) 1141-1150

B. Flem, Q. Xu, S. Kjelstrup and Å. Sterten. Thermoelectric powers of cells with NaF-AlF3 – Al2O3 melts, J. Non-Equilib. Thermodyn. 26 (2001) 125-151


D. Bedeaux and S. Kjelstrup, Local properties of a formation cell as described by nonequilibrium thermodynamics, J. Non-Equilib. Thermodyn. 25 (2000) 161-178

S. Kjelstrup, J. Qian, G. M. Haarberg, The Peltier heating of the aluminium cathode in contact with cryolite–alumina melts. Electrochim. Acta, 45 (2000) 2707-2717


D. Bedeaux, F. Standaert, K. Hemmes and S. Kjelstrup, Optimization of processes by equipartition, J. Non-Equil. Thermodyn. 24 (1999) 242-259

D. Bedeaux and S. Kjelstrup. Transfer coefficients for evaporation, Physica A, 270 (1999) 413-426

Dick Bedeaux and Signe Kjelstrup. Impedance spectroscopy of surfaces described by irreversible thermodynamics, J. Non-Equilib. Thermodyn. 24 (1999) 80-96


T. Okada, G. Xie, O. Gorseth, S. Kjelstrup, N. Nakamura and T. Arimura. Ion and water transport characteristics of Nafion membranes as electrolytes, Electrochim. Acta. 43 (1998) 3741-3747

Q. Xu, S. Kjelstrup and B. Hafskjold. Estimation of single electrode heats, Electrochim. Acta. 43 (1998) 2597-2603

K. Amezawa, S. Kjelstrup, T. Norby and Y. Ito, Protonic and native conduction in Sr-substituted LaPO4 studied by thermoelectric power measurements, J. Electrochem. Soc. 145 (1998) 3313-3319

T. Okada, S.Møller-Holst, O. Gorseth and S. Kjelstrup. Transport and equilibrium properties of Nafion membranes with H+ and Na+ ions, J. Electroanal. Chem. 442 (1998) 137-145


S. Kjelstrup and D. Bedeaux, Jumps in electric potential and in temperature at the electrodes in the solid oxide fuel cell, Physica A, 244 (1997) 213-226

E. Sauar, R. Rivero, S. Kjelstrup Ratkje, K. Lien, Diabatic column optimization compared to isoforce columns, Energy Convers. Mgmt. 38 (1997) 1777-1783


S. Kjelstrup and B. Hafskjold. Nonequilibrium molecular dynamics simulations of steady state heat and mass transport in distillation. Ind. Eng. Chem. Res. 35 (1996) 4203-4213

E.M. Hansen and S.Kjelstrup. Application of nonequilibrium thermodynamics to the electrode surfaces of aluminium electrolysis cells, J. Electrochem. Soc. 143 (1996) 3440-3447

S. Kjelstrup Ratkje and D. Bedeaux, The overpotential as a surface singularity described by nonequilibrium thermodynamics, J. Electrochem. Soc. 143 (1996) 779-789

D. Bedeaux and S. Kjelstrup Ratkje. The dissipated energy of electrode surfaces. Temperature jumps from coupled transport processes. J. Electrochem. Soc. 143 (1996) 767-779

T. Okada, S.Kjelstrup Ratkje, S. Møller-Holst, L.O. Jerdal, K. Friestad, X. Gang and R. Holmen, Water and Ion Transport in the Cation Exchange Membrane Systems NaCl-SrCl2 and KCl-SrCl2, J. Membr. Sci. 111 (1996) 159-167


S.Kjelstrup Ratkje, M. Ottøy, R. Halseid, M. Strømgård. Thermoelectric power relevant for solid-polymer-electrolyte fuel cell, J. Membr. Sci. 107 (1995) 219-228

E. Brendler, S.Kjelstrup Ratkje and G.H.Hertz, Streaming potentials of Nucleopore membranes by the electric work method, Electrochim. Acta 41 (1996) 169-176

G.H. Hertz and S.Kjelstrup Ratkje, Electrokinetic effects by the electric work method, Electrochim. Acta 40 (1996) 159-167.

B. Hafskjold and S.Kjelstrup Ratkje. Criteria for local equilibrium in a system with transport of heat and mass, J. Stat. Phys. 78 (1995) 463-493

S.Kjelstrup Ratkje and J. de Swaan Arons, Denbigh revisited: Reducing lost work in chemical processes, Chem. Eng. Sci. 50 (1995) 1551 -1560

S.Kjelstrup Ratkje and O. Flesland, Modelling the Freeze Concentration Process by Irreversible Thermodynamics, J. Food. Eng. 25 (1995) 553-567


S.Kjelstrup Ratkje, V.S. Sharivker and B.Cleaver. Reversible heat effects in high temperature batteries: Transported entropy and Thomson coefficients in cells with beta-alumina, Electrochim Acta 39 (1994) 2659-2664


S.Kjelstrup Ratkje, H.Rajabu and T.Førland: Transference coefficients and transference numbers in molten salt mixtures relevant for the aluminium electrolysis, Electrochim Acta 38 (1993) 415-423

S.Kjelstrup Ratkje and S. Møller-Holst: Exergy efficiency and local heat production in Solid Oxide Fuel Cells, Electrochim Acta 38 (1993) 447-45


M. Ottøy, T. Førland, S. Kjelstrup Ratkje and S. Møller-Holst. Membrane transference numbers from a new emf method, J. Membrane Sci. 74 (1992) 1-8

T. Okada, S.Kjelstrup Ratkje and H. Hanche-Olsen: Water transport in cation-exchange membranes, J. Membrane Sci. 66 (1992) 179 -192


S.Kjelstrup Ratkje: Local heat changes during aluminum electrolysis. Electrochim. Acta 36 (1991) 661-665


T.Holt, T.Førland and S.Kjelstrup Ratkje: Cation Exchange Membranes as Solid solutions. J.Membr.Sci. 25 (1985) 133-151

T.Holt, S.Kjelstrup Ratkje, K.S.Førland and T.Østvold: Hydrostatic Pressure Gradients in Ion Exchange Membranes During Mass and Charge Transfer. J.Membr.Sci. 9 (1981) 69-82

T.Førland and S.Kjelstrup Ratkje: Small Contributions to Emf from Changes in Electrostatic Energy. Electrochim. Acta 26 (1981) 649-652