Ana, Montero and Andres, Santos and Gurin, Péter and Varga, Szabolcs (2023) Ordering properties of anisotropic hard bodies in onedimensional channels. JOURNAL OF CHEMICAL PHYSICS. ISSN 00219606

Text
Montero_JCP_2023_arxiv.pdf Download (692kB)  Preview 
Abstract
The phase behavior and structural properties of hard anisotropic particles (prisms and dumbbells) are examined in onedimensional channels using the Parsons–Lee (PL) theory, and the transfermatrix and neighbordistribution methods. The particles are allowed to move freely along the channel, while their orientations are constrained such that one particle can occupy only two or three different lengths along the channel. In this confinement setting, hard prisms behave as an additive mixture, while hard dumbbells behave as a nonadditive one. We prove that all methods provide exact results for the phase properties of hard prisms, while only the neighbordistribution and transfermatrix methods are exact for hard dumbbells. This shows that nonadditive effects are incorrectly included into the PL theory, which is a successful theory of the isotropicnematic phase transition of rodlike particles in higher dimensions. In the onedimensional channel, the orientational ordering develops continuously with increasing density, i.e., the system is isotropic only at zero density, while it becomes perfectly ordered at the closepacking density. We show that there is no orientational correlation in the hard prism system, while the hard dumbbells are orientationally correlated with diverging correlation length at close packing. On the other hand, positional correlations are present for all the systems, the associated correlation length diverging at close packing.
Item Type:  Article 

Subjects:  Q Science / természettudomány > QC Physics / fizika > QC03 Heat. Thermodinamics / hőtan, termodinamika Q Science / természettudomány > QC Physics / fizika > QC06 Physics of condensed matter / szilárdtestfizika Q Science / természettudomány > QD Chemistry / kémia > QD02 Physical chemistry / fizikai kémia 
Depositing User:  Professor Dezső Boda 
Date Deposited:  09 Nov 2023 16:09 
Last Modified:  09 Nov 2023 16:09 
URI:  http://real.mtak.hu/id/eprint/179477 
Actions (login required)
Edit Item 