Advanced search
Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 81, 1994 - Issue 2
Submit an article Journal homepage
143
Views
73
CrossRef citations to date
0
Altmetric
Original Articles

The isotropic to nematic liquid crystal transition for hard ellipsoids: An Onsager-like theory and computer simulations

Adam Samborski Department of Chemistry, Oregon State University, Corvallis, Oregon, 97331, USA; Institute of Physical Chemistry, Polish Academy of Sciences, 01-224, Warsaw, Poland
,
Glenn T. Evans Department of Chemistry, Oregon State University, Corvallis, Oregon, 97331, USA
,
Carl P. Mason H. H. Wills Physics Laboratory, Bristol University, Royal Fort, Tyndall Avenue, Bristol, BS8 1TL, UK
&
Michael P. Allen H. H. Wills Physics Laboratory, Bristol University, Royal Fort, Tyndall Avenue, Bristol, BS8 1TL, UK
Pages 263-276 | Received 10 May 1993, Accepted 04 Jun 1993, Published online: 23 Aug 2006

Citations (73)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (18)

Bernardo Oyarzún Rivera, Thijs van Westen & Thijs J. H. Vlugt. (2016) Liquid-crystal phase equilibria of Lennard-Jones chains. Molecular Physics 114:6, pages 895-908.
Read now
J.R. Solana. (2015) Equations of state of hard-body fluids: a new proposal. Molecular Physics 113:9-10, pages 1003-1013.
Read now
T.K. Lahiri & Shri Singh. (2011) Discotic Nematic-Isotropic Phase Transition Properties for a Disc-Like Mesogen. Molecular Crystals and Liquid Crystals 537:1, pages 85-92.
Read now
Szabolcs Varga & George Jackson. (2011) A study of steric chirality: the chiral nematic phase of a system of chiral two-site HGO molecules. Molecular Physics 109:7-10, pages 1313-1330.
Read now
C. de Michele, R. Schilling & F. Sciortino. (2008) Simulation of the dynamics of hard ellipsoids. Philosophical Magazine 88:33-35, pages 4117-4123.
Read now
Szabolcs Varga, András Gábor, Enrique Velasco, Luis Mederos & Franz J. Vesely. (2008) Demixed and ordered phases in hard-rod mixtures. Molecular Physics 106:15, pages 1939-1947.
Read now
Mario Franco-Melgar, Andrew J. Haslam & George Jackson. (2008) A generalisation of the Onsager trial-function approach: describing nematic liquid crystals with an algebraic equation of state. Molecular Physics 106:5, pages 649-678.
Read now
Szabolcs Varga, Gergely Kronome & Istvan Szalai. (2000) External field induced tricritical phenomenon in the isotropicnematic phase transition of hard non-spherical particle systems. Molecular Physics 98:14, pages 911-915.
Read now
KALYAN SINGH, N. S. PANDEY & T. K. LAHIRI. (1999) Perturbation theory for discotic nematic liquid crystals of axially symmetric molecules: effect of dispersion interaction. Liquid Crystals 26:7, pages 999-1005.
Read now
SZABOLCS VARGA, DAVEC. WILLIAMSON & ISTVÁN SZALAI. (1999) Square-well fluid based decoupling approximation for system of hard non-spherical particles with spherical square-wells. Molecular Physics 96:11, pages 1695-1703.
Read now
GERALD RICKAYZEN. (1998) A model for the study of the structure of hard molecular fluids. Molecular Physics 95:2, pages 393-400.
Read now
By CARLOS VEGA. (1997) Virial coefficients and equation of state of hard ellipsoids. Molecular Physics 92:4, pages 651-666.
Read now
JAMES M. POLSON. (1996) Monte Carlo simulations of orientational ordering of solutes in a nematic solvent: comparison with mean-field models. Molecular Physics 88:3, pages 767-782.
Read now
A.G. Vanakaras & D.J. Photinos. (1995) Electric dipoles and phase stability in nematic liquid crystals. Molecular Physics 85:6, pages 1089-1104.
Read now
AndreiV. Komolkin & Arnold Maliniak. (1995) Local structure in anisotropic systems determined by molecular dynamics simulation. Molecular Physics 84:6, pages 1227-1238.
Read now
C.W. Cross & B.M. Fung. (1995) Molecular Dynamics Simulations for Cyanobiphenyl Liquid Crystals. Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals 262:1, pages 507-524.
Read now
Tomáš Boublík. (1994) Third virial coefficient and the hard convex body equation of state. Molecular Physics 83:6, pages 1285-1297.
Read now
Carlos Vega, Santiago Lago & Benito Garzón. (1994) Linear hard sphere models Virial coefficients and equation of state. Molecular Physics 82:6, pages 1233-1247.
Read now

Articles from other publishers (55)

Saientan Bag, Ayush Jha & Florian Müller‐Plathe. (2023) Machine Learning Assisted Monte Carlo Simulation: Efficient Overlap Determination for Nonspherical Hard Bodies. Advanced Theory and Simulations 6:11.
Crossref
Yuri Martínez-Ratón & Enrique Velasco. (2020) Orientational ordering in a fluid of hard kites: A density-functional-theory study. Physical Review E 102:5.
Crossref
Joyce T. Lopes & Luís F. M. Franco. (2019) New Thermodynamic Approach for Nonspherical Molecules Based on a Perturbation Theory for Ellipsoids. Industrial & Engineering Chemistry Research 58:16, pages 6850-6859.
Crossref
E. S. Nascimento. (2018) Nematic-isotropic transition in a density-functional theory for hard spheroidal colloids. The European Physical Journal E 41:11.
Crossref
G.J. dos Santos, D.H. Linares & A.J. Ramirez-Pastor. (2018) Statistical thermodynamics of aligned rigid rods with attractive lateral interactions: Theory and Monte Carlo simulations. Physica A: Statistical Mechanics and its Applications 495, pages 81-93.
Crossref
Peter Palffy-Muhoray, Epifanio G Virga & Xiaoyu Zheng. (2017) Onsager’s missing steps retraced. Journal of Physics: Condensed Matter 29:47, pages 475102.
Crossref
Martin Schoen, Andrew J. Haslam & George Jackson. (2017) Perturbation Theory versus Thermodynamic Integration. Beyond a Mean-Field Treatment of Pair Correlations in a Nematic Model Liquid Crystal. Langmuir 33:42, pages 11345-11365.
Crossref
Shikha Dwivedi, Pankaj Mishra, Ram Chandra Singh & Jokhan Ram. (2016) Tunable attractive interaction and the phase diagram of a system of Gay-Berne ellipsoids: A density functional approach. Journal of Molecular Liquids 222, pages 1139-1147.
Crossref
Anna Modlińska, Ahmed M. Alsayed & Thomas Gibaud. (2015) Condensation and dissolution of nematic droplets in dispersions of colloidal rods with thermo–sensitive depletants. Scientific Reports 5:1.
Crossref
Giorgio Cinacchi & Alessandro Tani. (2015) Isotropic–Nematic Phase Transition in Hard Platelets as Described by a Third-Virial Theory. The Journal of Physical Chemistry B 119:17, pages 5671-5676.
Crossref
Bernardo Oyarzún, Thijs van Westen & Thijs J. H. Vlugt. (2015) Isotropic-nematic phase equilibria of hard-sphere chain fluids—Pure components and binary mixtures. The Journal of Chemical Physics 142:6.
Crossref
Liang Wu, Erich A. Müller & George Jackson. (2014) Understanding and Describing the Liquid-Crystalline States of Polypeptide Solutions: A Coarse-Grained Model of PBLG in DMF. Macromolecules 47:4, pages 1482-1493.
Crossref
Liang Wu, George Jackson & Erich Müller. (2013) Liquid Crystal Phase Behaviour of Attractive Disc-Like Particles. International Journal of Molecular Sciences 14:8, pages 16414-16442.
Crossref
Thijs van Westen, Bernardo Oyarzún, Thijs J. H. Vlugt & Joachim Gross. (2013) The isotropic-nematic phase transition of tangent hard-sphere chain fluids—Pure components. The Journal of Chemical Physics 139:3.
Crossref
Bernardo Oyarzún, Thijs van Westen & Thijs J. H. Vlugt. (2013) The phase behavior of linear and partially flexible hard-sphere chain fluids and the solubility of hard spheres in hard-sphere chain fluids. The Journal of Chemical Physics 138:20.
Crossref
Thijs van Westen, Thijs J. H. Vlugt & Joachim Gross. (2012) An analytical approximation for the orientation-dependent excluded volume of tangent hard sphere chains of arbitrary chain length and flexibility. The Journal of Chemical Physics 137:4.
Crossref
X.-M. You, A. Yu. Vlasov, L. Anton & A. J. Masters. (2012) Isotropic and nematic phases of the hard spheroid fluid: A virial approach. Physical Review E 85:6.
Crossref
M. Dennison, M. Dijkstra & R. van Roij. (2011) The effects of shape and flexibility on bio-engineered fd-virus suspensions. The Journal of Chemical Physics 135:14.
Crossref
F. de J. Guevara-Rodríguez & G. Odriozola. (2011) Hard ellipsoids: Analytically approaching the exact overlap distance. The Journal of Chemical Physics 135:8.
Crossref
Matthew Dennison & Andrew J. Masters. (2011) High-level virial theory of hard spheroids. Physical Review E 84:2.
Crossref
Wenxiang Xu, Huisu Chen & Zhong Lv. (2010) A 2D elliptical model of random packing for aggregates in concrete. Journal of Wuhan University of Technology-Mater. Sci. Ed. 25:4, pages 717-720.
Crossref
F. Gámez, P.J. Merkling & S. Lago. (2010) Parsons–Lee approach for oblate hard spherocylinders. Chemical Physics Letters 494:1-3, pages 45-49.
Crossref
S. Kondrat, M. Bier & L. Harnau. (2010) Phase behavior of ionic liquid crystals. The Journal of Chemical Physics 132:18.
Crossref
C. De Michele. (2010) Simulating hard rigid bodies. Journal of Computational Physics 229:9, pages 3276-3294.
Crossref
Micah J. Green, A. Nicholas G. Parra-Vasquez, Natnael Behabtu & Matteo Pasquali. (2009) Modeling the phase behavior of polydisperse rigid rods with attractive interactions with applications to single-walled carbon nanotubes in superacids. The Journal of Chemical Physics 131:8.
Crossref
Alexandr Malijevský, George Jackson & Szabolcs Varga. (2008) Many-fluid Onsager density functional theories for orientational ordering in mixtures of anisotropic hard-body fluids. The Journal of Chemical Physics 129:14.
Crossref
Martin A. Bates, Matthew Dennison & Andrew Masters. (2008) Computer simulation and high level virial theory of Saturn-ring or UFO colloids. The Journal of Chemical Physics 129:7.
Crossref
A J Masters. (2008) Virial expansions. Journal of Physics: Condensed Matter 20:28, pages 283102.
Crossref
D. A. Matoz-Fernandez, D. H. Linares & A. J. Ramirez-Pastor. (2008) Critical behavior of long straight rigid rods on two-dimensional lattices: Theory and Monte Carlo simulations. The Journal of Chemical Physics 128:21.
Crossref
Carl McBride & Enrique Lomba. (2007) Hard biaxial ellipsoids revisited: Numerical results. Fluid Phase Equilibria 255:1, pages 37-45.
Crossref
Cristiano De Michele, Rolf Schilling & Francesco Sciortino. (2007) Dynamics of Uniaxial Hard Ellipsoids. Physical Review Letters 98:26.
Crossref
Alexander Bezrukov & Dietrich Stoyan. (2006) Simulation and Statistical Analysis of Random Packings of Ellipsoids. Particle & Particle Systems Characterization 23:5, pages 388-398.
Crossref
X.-M. You, A. Yu. Vlasov & A. J. Masters. (2005) The equation of state of isotropic fluids of hard convex bodies from a high-level virial expansion. The Journal of Chemical Physics 123:3, pages 034510.
Crossref
Giorgio Cinacchi, Luca De Gaetani & Alessandro Tani. (2005) Numerical study of a calamitic liquid-crystal model: Phase behavior and structure. Physical Review E 71:3.
Crossref
Enrique de Miguel & Elvira Martı́n del Rı́o. (2003) Equation of state for hard Gaussian overlap fluids. The Journal of Chemical Physics 118:4, pages 1852-1858.
Crossref
Demetri J. Photinos. 2003. NMR of Ordered Liquids. NMR of Ordered Liquids 259 284 .
Jean-Christophe P. Gabriel & Patrick Davidson. 2003. Colloid Chemistry I. Colloid Chemistry I 119 172 .
Giorgio Cinacchi & Friederike Schmid. (2002) Density functional for anisotropic fluids. Journal of Physics: Condensed Matter 14:46, pages 12223-12234.
Crossref
Szabolcs Varga, István Szalai, János Liszi & George Jackson. (2002) A study of orientational ordering in a fluid of dipolar Gay–Berne molecules using density-functional theory. The Journal of Chemical Physics 116:20, pages 9107-9119.
Crossref
Friederike Schmid & Nguyen H. Phuong. 2002. Morphology of Condensed Matter. Morphology of Condensed Matter 172 186 .
Raymond T. Syvitski & E. Elliott Burnell. (2000) Dipole-induced ordering in nematic liquid crystals. II. The elusive holy grail. The Journal of Chemical Physics 113:8, pages 3452-3465.
Crossref
K. Hiltrop. 1999. Lyotrope Flüssigkristalle. Lyotrope Flüssigkristalle 25 57 .
E. E. Burnell & C. A. de Lange. (1998) Prediction from Molecular Shape of Solute Orientational Order in Liquid Crystals. Chemical Reviews 98:6, pages 2359-2388.
Crossref
P. Padilla & E. Velasco. (1997) The isotropic–nematic transition for the hard Gaussian overlap fluid: Testing the decoupling approximation. The Journal of Chemical Physics 106:24, pages 10299-10310.
Crossref
Philip J. Camp, Michael P. Allen, Peter G. Bolhuis & Daan Frenkel. (1997) Demixing in hard ellipsoid rod-plate mixtures. The Journal of Chemical Physics 106:22, pages 9270-9275.
Crossref
Philip J. Camp & Michael P. Allen. (1997) Phase diagram of the hard biaxial ellipsoid fluid. The Journal of Chemical Physics 106:16, pages 6681-6688.
Crossref
James M. Polson & E. Elliott Burnell. (1997) Monte Carlo simulations of solute ordering in nematic liquid crystals: Shape anisotropy and quadrupole-quadrupole interactions as orienting mechanisms. Physical Review E 55:4, pages 4321-4337.
Crossref
Philip J. Camp, Carl P. Mason, Michael P. Allen, Anjali A. Khare & David A. Kofke. (1996) The isotropic–nematic phase transition in uniaxial hard ellipsoid fluids: Coexistence data and the approach to the Onsager limit. The Journal of Chemical Physics 105:7, pages 2837-2849.
Crossref
Philip J. Camp & Michael P. Allen. (1996) Hard ellipsoid rod-plate mixtures: Onsager theory and computer simulations. Physica A: Statistical Mechanics and its Applications 229:3-4, pages 410-427.
Crossref
Simon C. McGrother, Dave C. Williamson & George Jackson. (1996) A re-examination of the phase diagram of hard spherocylinders. The Journal of Chemical Physics 104:17, pages 6755-6771.
Crossref
M Calleja & G Rickayzen. (1995) A model for homogeneous and inhomogeneous hard molecular fluids: ellipsoidal fluids. Journal of Physics: Condensed Matter 7:47, pages 8839-8856.
Crossref
Dave C. Williamson. (1995) The isotropic-nematic phase transition: the Onsager theory revisited. Physica A: Statistical Mechanics and its Applications 220:1-2, pages 139-164.
Crossref
Michael P. Allen. 1995. Observation, Prediction and Simulation of Phase Transitions in Complex Fluids. Observation, Prediction and Simulation of Phase Transitions in Complex Fluids 557 591 .
C. W. Cross & B. M. Fung. (1994) A simplified approach to molecular dynamics simulations of liquid crystals with atom–atom potentials. The Journal of Chemical Physics 101:8, pages 6839-6848.
Crossref
Adam Samborski & Glenn T. Evans. (1994) Binary hard sphere, hard ellipsoid liquid crystal mixtures. The Journal of Chemical Physics 101:7, pages 6005-6012.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.