DOI: 10.1063/1.2036987. Effect of fluid-substrate attraction and pore geometry on fluid adsorption

Effect of fluid-substrate attraction and pore geometry on fluid adsorption

10.1063/1.2036987

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We employ grand canonical ensemble Monte Carlo simulations to investigate the impact of substrate curvature on the phase behavior of an adjacent fluid. The substrates consist of a periodic sequence of grooves in the x direction; the grooves are infinitely long in the y direction. The shape of the grooves is controlled by a parameter η. For η=0 the substrates are planar. If η=1, the grooves are wedge shaped. If η&gt;1 the grooves become concave and in the limit η=∞ rectangular. The fluid-substrate potential representing a groove consists of two contributions, namely, that of the homogeneous substrate base corresponding to a semi-infinite solid and that of a finite piece of solid with nonplanar surfaces. Whereas the former contribution can be calculated analytically, the latter needs to be evaluated numerically. For very large values of η, that is in (almost) rectangular grooves, we observe capillary condensation of that portion of fluid located inside the grooves. As η decreases capillary condensation gives way to continuous filling. In all cases, a nearly planar film-gas interface eventually forms in the direction normal to the surface of the substrate base and outside the grooves if one increases the chemical potential sufficiently.

Bibliography

Bohlen, H., & Schoen, M. (2005). Effect of fluid-substrate attraction and pore geometry on fluid adsorption. The Journal of Chemical Physics, 123(12).

Authors 2

Holger Bohlen (first)
Martin Schoen (additional)

References 19 Referenced 13

10.1021/nl034877i / Nano Lett. (2004)
10.1021/la048629t / Langmuir (2004)
10.1021/la950418o / Langmuir (1996)
10.1021/la036369u / Langmuir (2004)
10.1021/la034961d / Langmuir (2004)
10.1088/0957-4484/14/6/302 / Nanotechnology (2003)
10.1063/1.1489102 / Appl. Phys. Lett. (2002)
10.1103/PhysRevE.67.031604 / Phys. Rev. E (2003)
10.1103/PhysRevE.68.031601 / Phys. Rev. E (2003)
10.1038/35039590 / Nature (London) (2000)
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10.1209/epl/i2003-00445-5 / Europhys. Lett. (2003)
10.1063/1.1764771 / J. Chem. Phys. (2004)
{'volume-title': 'Thermodynamics', 'year': '1960', 'key': '2023072801193463200_c14'} / Thermodynamics (1960)
{'edition': '2nd ed.', 'volume-title': 'Equilibrium Statistical Physics', 'year': '1994', 'key': '2023072801193463200_c15'} / Equilibrium Statistical Physics (1994)
10.1103/PhysRevE.62.6615 / Phys. Rev. E (2000)
10.1063/1.1652430 / J. Chem. Phys. (2004)
{'key': '2023072801193463200_c19', 'first-page': '094593', 'volume': '122', 'year': '2005', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (2005)
10.1063/1.1529683 / J. Chem. Phys. (2003)

Dates

Type	When
Created	19 years, 11 months ago (Sept. 27, 2005, 6 p.m.)
Deposited	2 years, 1 month ago (July 27, 2023, 9:19 p.m.)
Indexed	1 month ago (July 30, 2025, 6:45 a.m.)
Issued	19 years, 11 months ago (Sept. 22, 2005)
Published	19 years, 11 months ago (Sept. 22, 2005)
Published Online	19 years, 11 months ago (Sept. 29, 2005)
Published Print	19 years, 11 months ago (Sept. 22, 2005)

Funders 0

None

BibTeX

@article{Bohlen_2005, title={Effect of fluid-substrate attraction and pore geometry on fluid adsorption}, volume={123}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.2036987}, DOI={10.1063/1.2036987}, number={12}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Bohlen, Holger and Schoen, Martin}, year={2005}, month=sep }

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