Diffusion under Confinement: Hydrodynamic Finite-Size Effects in Simulation

Pauline Simonnin; Benoı̂t Noetinger; Carlos Nieto-Draghi; Virginie Marry; Benjamin Rotenberg

doi:10.1021/acs.jctc.7b00342

journal article Jun 05, 2017

Diffusion under Confinement: Hydrodynamic Finite-Size Effects in Simulation

Pauline Simonnin

Benoı̂t Noetinger Carlos Nieto-Draghi Virginie Marry

Benjamin Rotenberg

Journal of Chemical Theory and Computation Vol. 13 No. 6 pp. 2881-2889 · American Chemical Society (ACS)

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References

37

[1]

10.1021/nl052254u

[2]

10.1021/nl1021046

[3]

10.1038/ncomms7949

[4]

10.1021/acs.jctc.6b00653

[5]

10.1103/physrevlett.109.118302

[6]

10.1038/nature11876

[7]

10.1039/b909366b

[8]

10.1103/physrevlett.78.3785

[9]

10.1038/ncomms9558

[10]

Der Widerstand gegen die Bewegung einer starren Kugel in einer zähen Flüssigkeit, die zwischen zwei parallelen ebenen Wänden eingeschlossen ist

Hilding Faxén

Annalen der Physik 10.1002/andp.19223731003

[11]

10.1007/bf02353701

[12]

10.1063/1.3487748

[13]

10.1209/0295-5075/31/8/006

[14]

10.1063/1.2083748

[15]

10.1088/0953-8984/17/49/005

[16]

On the Calculation of Diffusion Coefficients in Confined Fluids and Interfaces with an Application to the Liquid−Vapor Interface of Water

Pu Liu, Edward Harder, B. J. Berne

The Journal of Physical Chemistry B 10.1021/jp0375057

[17]

10.1039/b807288d

[18]

10.1021/la901314b

[19]

10.1021/jp204772c

[20]

10.1039/c2cp40687j

[21]

10.1063/1.4712139

[22]

10.1080/00268976.2013.861084

[23]

10.1103/physrevlett.111.118103

[24]

Molecular dynamics simulation of a polymer chain in solution

Burkhard Dünweg, Kurt Kremer

The Journal of Chemical Physics 10.1063/1.465445

[25]

10.1103/physreve.68.021203

[26]

System-Size Dependence of Diffusion Coefficients and Viscosities from Molecular Dynamics Simulations with Periodic Boundary Conditions

In-Chul Yeh, Gerhard Hummer

The Journal of Physical Chemistry B 10.1021/jp0477147

[27]

10.1088/0953-8984/24/28/284117

[28]

10.1063/1.3677196

[29]

10.1063/1.4905545

[30]

10.1080/00268976.2015.1021730

[31]

10.1063/1.4926841

[32]

10.1021/acs.jpcb.6b05102

[33]

LAMMPS.http://lammps.sandia.gov(accessed May 2017).

[34]

10.1103/physrevlett.109.024501

[35]

10.1103/physreve.88.012106

[36]

10.1007/bf01535565

[37]

10.1021/jp408884g

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Finite-size integral equations in the theory of liquids and the thermodynamic limit in computer simulations

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Metrics

111

Citations

37

References

Details

Published: Jun 05, 2017
Vol/Issue: 13(6)
Pages: 2881-2889

Authors

P

Pauline Simonnin

Sorbonne Universités, UPMC Univ Paris 06, CNRS, Laboratoire PHENIX, Case 51, 4 Place Jussieu, F-75005 Paris, France; IFP Energies Nouvelles, 1 & 4 avenue de Bois-Préau, 92852 Rueil-Malmaison, France

B

Benoı̂t Noetinger

IFP Energies Nouvelles, 1 & 4 avenue de Bois-Préau, 92852 Rueil-Malmaison, France

C

Carlos Nieto-Draghi

IFP Energies Nouvelles, 1 & 4 avenue de Bois-Préau, 92852 Rueil-Malmaison, France

V

Virginie Marry

Sorbonne Universités, UPMC Univ Paris 06, CNRS, Laboratoire PHENIX, Case 51, 4 Place Jussieu, F-75005 Paris, France

B

Benjamin Rotenberg

Sorbonne Universités, UPMC Univ Paris 06, CNRS, Laboratoire PHENIX, Case 51, 4 Place Jussieu, F-75005 Paris, France

Funding

IFP Énergies nouvelles

Cite This Article

Pauline Simonnin, Benoı̂t Noetinger, Carlos Nieto-Draghi, et al. (2017). Diffusion under Confinement: Hydrodynamic Finite-Size Effects in Simulation. Journal of Chemical Theory and Computation, 13(6), 2881-2889. https://doi.org/10.1021/acs.jctc.7b00342

Diffusion under Confinement: Hydrodynamic Finite-Size Effects in Simulation

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