Signe Kjelstrup - Publications#


Non-equilibrium thermodynamics for engineers,
With Dick Bedeaux, Eivind Johannessen, Joachim Gross, World Scientific, Singapore, 2010

Non-equlibrium thermodynamics of heterogeneous systems
With Dick Bedeaux, Series on Advances in Statistical Mechanics, Vol.16, World Scientific, 2008

Papers 2008- Oct. 2012:

A. Zvolinschi, and S. Kjelstrup,
A process maturity indicator for industrial ecology
J. Ind. Ecol. 12 (2008) 159- 172

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

S. Kjelstrup, L. de Meis, D. Bedeaux and J-M. Simon,
Is the Ca-ATPase from sarcoplasmic reticulum also a heat pump?
Eur. J. Biophys. 38 (2008) 59-69.

F. Bresme, A. Lervik, D. Bedeaux, S. Kjelstrup,
Water Polarization under Thermal Gradients,
Phys. Rev. Lett. 101 (2008) 020602-4

Inzoli, J.M. Simon, D. Bedeaux and S. Kjelstrup
Thermal diffusion and partial molar enthalpy variations of n-butane in silicalite-1,
J. Phys. Chem. B 112 (2008) 14937–14951

D. Bedeaux and S. Kjelstrup,
The measurable heat flux that accompanies active transport by Ca-ATPase.
Phys. Chem. Chem. Phys. 2008, (48) 7304-7317

F. Elif Genceli, Marcos Rodriguez Pascual, Signe Kjelstrup, Geert-Jan Witkamp,
Coupled heat and mass transfer during crystallization of MgSO4∙7H2O on a cooled surface, Crystal Growth and Design, 9 (2009) 1318-1326

A. Lervik, F. Bresme, and S. Kjelstrup
Heat transfer in soft nanoscale interfaces: The influence of interface curvature.
Soft Matter 5 (2009) 2407-2414 | 2409

I. Inzoli, J.-M. Simon, and S. Kjelstrup
Surface adsorption isotherms and surface excess densities of n-butane in solicalite-1
Langmuir, 25 (2009) 1518–1525

S. Kjelstrup, D. Barragan and D. Bedeaux,
Coefficients for active transport and thermogenesis of Ca²⁺-ATPase isoforms,
Biophys. J. 96 (2009) 4376-4386

J. Kuhn, R. Stemmer, F. Kaptijn, S. Kjelstrup and J. Gross,
A non-equilibrium thermodynamics approach to model mass and heat
transport for water pervaporation through a zeolite membrane
J. Membrane Science, 330 (2009) 388- 398

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

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

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

O. Burheim, P.J.S. Vie, S. Møller-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.-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. (2010) DOI 10.1021/jp902491s

A. Lervik, F. Bresme, S. Kjelstrup, D. Bedeaux and J.M. Rubi,
Heat transfer in protein-water interfaces. Phys. Chem. Chem. Phys. (2010) 1-8

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 (2010) DOI:10.1016/j.ces.2009.12.021

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

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

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

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

L.V van der Ham and S. Kjelstrup
Exergy analysis of two cryogenic air separation processes,
Energy 35 (2010) 4731-4739

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

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

I. 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

D. Mendoza, S.Kjelstrup
Modeling a non-equilibrium distillation stage using irreversible thermodynamics,
Chem. Eng. Sci. 66 (2011) 2713-2722

J. ter Horst, D. Bedeaux and S. Kjelstrup,
The role of temperature in nucleation processes,
J. Chem. Phys. 134, 054703 (2011)

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

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

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

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

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 115 (2011) 10911 -10918

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)

Xin Liu, Sondre Schnell, Jean-Marc Simon, Dick Bedeaux, Signe Kjelstrup,
Andrè Bardow and Thijs J.H. Vlugt,
Fick diffusion coefficients of liquid mixtures directly obtained from equilibrium molecular dynamics,
J. Phys. Chem. 115 (2011) 12921-12929

Odne Burheim, Frode Seland, Jon Pharoah and Signe Kjelstrup,
Improved Electrode Systems for Reverse Electro-Dialysis and Electro-Dialysis
Desalination 285 (2012) 147-152

L.V. van der Ham and S. Kjelstrup,
The Importance of Coupling between Thermal and Molar Fluxes in a Nitrogen-Oxygen Distillation Column,
Int. J. Thermodynamics 14 (2011) 179-184

Sondre K. Schnell, Thijs J.H. Vlugt, Jean-Marc Simon, Dick Bedeaux, and Signe Kjelstrup, Thermodynamics of small systems embedded in a reservoir: a detailed analysis of finite size effects
Molecular Physics 110 (2011) 1069-1079

S. Kjelstrup, E. Johannessen, A. Røsjorde,
Two established process technologies confirmed by entropy production minimization, IJEEE, 2 (2011) 45-56

Ragnhild Skorpa, Mari Voldsund, Marit Takla, Sondre K Schnell, Dick Bedeaux, Signe Kjelstrup,
Assessing the coupled heat and mass transport of hydrogen through a palladium membrane,
J. Membr. Sci. 394-395 (2012 ) 131-139

Thierry Savin, Kirill Glavatskiy, S. Kjelstrup, H.C. Öttinger, D. Bedeaux,
Local equilibrium of the Gibbs interface in two-phase systems
Eur. Phys. Letters, 97 (2012) 4000

Anders Lervik; Fernando Bresme, Signe Kjelstrup,
Molecular dynamics simulations of the Ca2+-pump: a structural analysis
Phys. Chem. Chem. Phys. 14 (2012) 3543-3553

Anders Lervik, Dick Bedeaux, Signe Kjelstrup,
Kinetic and mesoscopic non-equilibrium description of the Ca2+–pump: a comparison,
Europ. Biophys. Journal, 41 (2012) 437-448

Fulong Ning, Yibing Yu, Signe Kjelstrup, Thijs Vlugt and Kirill Glavatskiy,
Mechanical properties of clathrate hydrates: status and perspectives
Energy Environ. Sci., 5 (2012) 6770

Kirill Glavatskiy, Thijs Vlugt, Signe Kjelstrup
Towards a Possibility to Exchange CO2 and CH4 in sI Clathrate Hydrates,
J. Phys. Chem. B 116 (2012) 3745–3753

A. Lervik, F. Bresme, S. Kjelstrup, M. Rubi
On the thermodynamic efficiency of the Ca2+-ATPase molecular machines
Biophysical Journal 103 (2012) 1-9
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