Using transfer operator and fundamental measure theories, we examine the structural and thermodynamic properties of hard rectangles confined between two parallel hard walls. The side lengths of the rectangle (L and D, ) and the pore width (H) are chosen such that a maximum of two layers is allowed to form when the long sides of the rectangles are parallel to the wall, while only one layer is possible in case the rectangles are perpendicular to the wall. We observe three different structures: (i) at low density, the rectangles align mainly parallel to the wall, (ii) at intermediate or high density, two fluid layers form in which the rectangles are parallel to the wall, and (iii) a dense single fluid layer with rectangles aligned mainly perpendicular to the wall. The transition between these structures is smooth without any non-analytic behaviour in the thermodynamic quantities; however, the fraction of particles perpendicular (or parallel) to the wall can exhibit a relatively sudden change if L is close to H. In this case, interestingly, even three different structures can be observed with increasing density.
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7 April 2017
Research Article|
April 04 2017
Ordering of hard rectangles in strong confinement
Péter Gurin;
Péter Gurin
1Institute of Physics and Mechatronics,
University of Pannonia
, P.O. Box 158, Veszprém H-8201, Hungary
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Szabolcs Varga
;
Szabolcs Varga
1Institute of Physics and Mechatronics,
University of Pannonia
, P.O. Box 158, Veszprém H-8201, Hungary
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Miguel González-Pinto;
Miguel González-Pinto
2Departamento de Física Teórica de la Materia Condensada, Instituto de Física de la Materia Condensada (IFIMAC) and Instituto de Ciencia de Materiales Nicolás Cabrera,
Universidad Autónoma de Madrid
, E-28049 Madrid, Spain
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Yuri Martínez-Ratón;
Yuri Martínez-Ratón
3Grupo Interdisciplinar de Sistemas Complejos (GISC), Departamento de Matemáticas,
Escuela Politécnica Superior, Carlos III de Madrid
, Avenida de la Universidad 30, E-28911 Leganés, Madrid, Spain
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Enrique Velasco
Enrique Velasco
2Departamento de Física Teórica de la Materia Condensada, Instituto de Física de la Materia Condensada (IFIMAC) and Instituto de Ciencia de Materiales Nicolás Cabrera,
Universidad Autónoma de Madrid
, E-28049 Madrid, Spain
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J. Chem. Phys. 146, 134503 (2017)
Article history
Received:
February 23 2017
Accepted:
March 18 2017
Citation
Péter Gurin, Szabolcs Varga, Miguel González-Pinto, Yuri Martínez-Ratón, Enrique Velasco; Ordering of hard rectangles in strong confinement. J. Chem. Phys. 7 April 2017; 146 (13): 134503. https://doi.org/10.1063/1.4979497
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