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Items: 1 to 20 of 45

1.

Two-Phase Equilibrium Conditions in Nanopores.

Rauter MT, Galteland O, Erdős M, Moultos OA, Vlugt TJH, Schnell SK, Bedeaux D, Kjelstrup S.

Nanomaterials (Basel). 2020 Mar 26;10(4). pii: E608. doi: 10.3390/nano10040608.

2.

Gibbs Ensemble Monte Carlo Simulation of Fluids in Confinement: Relation between the Differential and Integral Pressures.

Erdős M, Galteland O, Bedeaux D, Kjelstrup S, Moultos OA, Vlugt TJH.

Nanomaterials (Basel). 2020 Feb 9;10(2). pii: E293. doi: 10.3390/nano10020293.

3.

The thermal boundary resistance at semiconductor interfaces: a critical appraisal of the Onsager vs. Kapitza formalisms.

Rurali R, Cartoixà X, Bedeaux D, Kjelstrup S, Colombo L.

Phys Chem Chem Phys. 2018 Sep 12;20(35):22623-22628. doi: 10.1039/c8cp02104j.

PMID:
30131997
4.

Size and shape effects on the thermodynamic properties of nanoscale volumes of water.

Strøm BA, Simon JM, Schnell SK, Kjelstrup S, He J, Bedeaux D.

Phys Chem Chem Phys. 2017 Mar 29;19(13):9016-9027. doi: 10.1039/c7cp00874k.

PMID:
28304038
5.

Ensemble distribution for immiscible two-phase flow in porous media.

Savani I, Bedeaux D, Kjelstrup S, Vassvik M, Sinha S, Hansen A.

Phys Rev E. 2017 Feb;95(2-1):023116. doi: 10.1103/PhysRevE.95.023116. Epub 2017 Feb 27.

PMID:
28297862
6.

Heat transport through a solid-solid junction: the interface as an autonomous thermodynamic system.

Rurali R, Colombo L, Cartoixà X, Wilhelmsen Ø, Trinh TT, Bedeaux D, Kjelstrup S.

Phys Chem Chem Phys. 2016 May 18;18(20):13741-5. doi: 10.1039/c6cp01872f.

PMID:
27148698
7.

Molecular alignment in molecular fluids induced by coupling between density and thermal gradients.

Daub CD, Tafjord J, Kjelstrup S, Bedeaux D, Bresme F.

Phys Chem Chem Phys. 2016 Apr 28;18(17):12213-20. doi: 10.1039/c6cp01231k.

8.

Coherent description of transport across the water interface: From nanodroplets to climate models.

Wilhelmsen Ø, Trinh TT, Lervik A, Badam VK, Kjelstrup S, Bedeaux D.

Phys Rev E. 2016 Mar;93(3):032801. doi: 10.1103/PhysRevE.93.032801. Epub 2016 Mar 14.

PMID:
27078427
9.

Entropy production in mesoscopic stochastic thermodynamics: nonequilibrium kinetic cycles driven by chemical potentials, temperatures, and mechanical forces.

Qian H, Kjelstrup S, Kolomeisky AB, Bedeaux D.

J Phys Condens Matter. 2016 Apr 20;28(15):153004. doi: 10.1088/0953-8984/28/15/153004. Epub 2016 Mar 17. Review.

PMID:
26986039
10.

Communication: Tolman length and rigidity constants of water and their role in nucleation.

Wilhelmsen Ø, Bedeaux D, Reguera D.

J Chem Phys. 2015 May 7;142(17):171103. doi: 10.1063/1.4919689.

11.

Heat and mass transfer across interfaces in complex nanogeometries.

Wilhelmsen Ø, Trinh TT, Kjelstrup S, van Erp TS, Bedeaux D.

Phys Rev Lett. 2015 Feb 13;114(6):065901. Epub 2015 Feb 12.

PMID:
25723229
12.

Tolman length and rigidity constants of the Lennard-Jones fluid.

Wilhelmsen Ø, Bedeaux D, Reguera D.

J Chem Phys. 2015 Feb 14;142(6):064706. doi: 10.1063/1.4907588.

PMID:
25681934
13.

Partial molar enthalpies and reaction enthalpies from equilibrium molecular dynamics simulation.

Schnell SK, Skorpa R, Bedeaux D, Kjelstrup S, Vlugt TJ, Simon JM.

J Chem Phys. 2014 Oct 14;141(14):144501. doi: 10.1063/1.4896939.

PMID:
25318729
14.

Extending the nonequilibrium square-gradient model with temperature-dependent influence parameters.

Magnanelli E, Wilhelmsen Ø, Bedeaux D, Kjelstrup S.

Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Sep;90(3):032402. Epub 2014 Sep 3.

PMID:
25314452
15.

Nonlinear coupled equations for electrochemical cells as developed by the general equation for nonequilibrium reversible-irreversible coupling.

Bedeaux D, Kjelstrup S, Öttinger HC.

J Chem Phys. 2014 Sep 28;141(12):124102. doi: 10.1063/1.4894759.

PMID:
25273407
16.

Communication: superstabilization of fluids in nanocontainers.

Wilhelmsen Ø, Bedeaux D, Kjelstrup S, Reguera D.

J Chem Phys. 2014 Aug 21;141(7):071103. doi: 10.1063/1.4893701.

PMID:
25149768
17.

The reaction enthalpy of hydrogen dissociation calculated with the Small System Method from simulation of molecular fluctuations.

Skorpa R, Simon JM, Bedeaux D, Kjelstrup S.

Phys Chem Chem Phys. 2014 Sep 28;16(36):19681-93. doi: 10.1039/c4cp02768j.

PMID:
25113221
18.

Heat and mass transfer through interfaces of nanosized bubbles/droplets: the influence of interface curvature.

Wilhelmsen Ø, Bedeaux D, Kjelstrup S.

Phys Chem Chem Phys. 2014 Jun 14;16(22):10573-86. doi: 10.1039/c4cp00607k.

PMID:
24740009
19.

Thermodynamic stability of nanosized multicomponent bubbles/droplets: the square gradient theory and the capillary approach.

Wilhelmsen Ø, Bedeaux D, Kjelstrup S, Reguera D.

J Chem Phys. 2014 Jan 14;140(2):024704. doi: 10.1063/1.4860495.

PMID:
24437899
20.

Equilibrium properties of the reaction H2 ⇌ 2H by classical molecular dynamics simulations.

Skorpa R, Simon JM, Bedeaux D, Kjelstrup S.

Phys Chem Chem Phys. 2014 Jan 21;16(3):1227-37. doi: 10.1039/c3cp54149e. Epub 2013 Dec 2.

PMID:
24296986

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