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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 93, 1998 - Issue 5
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Original Articles

Isotropic to nematic transition in semiflexible polymer melts

Pages 693-701 | Published online: 03 Dec 2010

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

Read on this site (4)

Michael P. Allen. (2019) Molecular simulation of liquid crystals. Molecular Physics 117:18, pages 2391-2417.
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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.
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Shaoliang Lin, Naoko Numasawa, Takuhei Nose & Jiaping Lin. (2007) Coarse-Grained Molecular Dynamic Simulations for Lyotropic Liquid-Crystalline Solutions of Semiflexible Rod-Like Molecules. Molecular Crystals and Liquid Crystals 466:1, pages 53-76.
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SZABOLCS VARGA & ISTVÁN SZALAI. (2000) Modified Parsons-Lee theory for fluids of linear fused hard sphere chains. Molecular Physics 98:10, pages 693-698.
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Articles from other publishers (46)

Daniel Martínez-Fernández, Miguel Herranz, Katerina Foteinopoulou, Nikos Ch. Karayiannis & Manuel Laso. (2023) Local and Global Order in Dense Packings of Semi-Flexible Polymers of Hard Spheres. Polymers 15:3, pages 551.
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Boyuan Yu, Heyi Liang, Artem M. Rumyantsev & Juan J. de Pablo. (2022) Isotropic-to-Nematic Transition in Salt-Free Polyelectrolyte Coacervates from Coarse-Grained Simulations. Macromolecules 55:21, pages 9627-9639.
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Bokai Zhang, Jian Li, Juanmei Hu & Lei Liu. (2021) Theory of polymer diffusion in polymer–nanoparticle mixtures: effect of nanoparticle concentration and polymer length. Soft Matter 17:17, pages 4632-4642.
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Kye Hyoung Kil, Arun Yethiraj & Jun Soo Kim. (2020) Nematic ordering of hard rods under strong confinement in a dense array of nanoposts. Physical Review E 101:3.
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T. Shakirov & W. Paul. (2018) Crystallization in melts of short, semiflexible hard polymer chains: An interplay of entropies and dimensions. Physical Review E 97:4.
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J. Javier Burgos-MármolÓscar Álvarez-MachancosesAlessandro Patti. (2017) Modeling the Effect of Polymer Chain Stiffness on the Behavior of Polymer Nanocomposites. The Journal of Physical Chemistry B 121:25, pages 6245-6256.
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Sergei A. Egorov, Andrey Milchev, Peter Virnau & Kurt Binder. (2016) A new insight into the isotropic–nematic phase transition in lyotropic solutions of semiflexible polymers: density-functional theory tested by molecular dynamics. Soft Matter 12:22, pages 4944-4959.
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W. Rżysko, S. Sokołowski & T. Staszewski. (2015) Monte Carlo simulations of a model two-dimensional, two-patch colloidal particles. The Journal of Chemical Physics 143:6.
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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.
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Brandon Lin, Tyler B. Martin & Arthi Jayaraman. (2014) Decreasing Polymer Flexibility Improves Wetting and Dispersion of Polymer-Grafted Particles in a Chemically Identical Polymer Matrix. ACS Macro Letters 3:7, pages 628-632.
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Victor A. Ivanov, Alexandra S. Rodionova, Julia A. Martemyanova, Mikhail R. Stukan, Marcus Müller, Wolfgang Paul & Kurt Binder. (2014) Conformational Properties of Semiflexible Chains at Nematic Ordering Transitions in Thin Films: A Monte Carlo Simulation. Macromolecules 47:3, pages 1206-1220.
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V. A. Ivanov, J. A. Martemyanova, A. S. Rodionova & M. R. Stukan. (2013) Computer simulation of stiff-chain polymers. Polymer Science Series C 55:1, pages 4-22.
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V. A. Ivanov, A. S. Rodionova, J. A. Martemyanova, M. R. Stukan, M. Müller, W. Paul & K. Binder. (2013) Wall-induced orientational order in athermal semidilute solutions of semiflexible polymers: Monte Carlo simulations of a lattice model. The Journal of Chemical Physics 138:23.
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Gustavo A. Chapela, Enrique Díaz-Herrera, Julio C. Armas-Pérez & Jacqueline Quintana-H. (2013) Effect of flexibility on liquid-vapor coexistence and surface properties of tangent linear vibrating square well chains in two and three dimensions. The Journal of Chemical Physics 138:22.
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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.
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Venkat Padmanabhan, Amalie L. Frischknecht & Michael E. Mackay. (2012) Effect of Chain Stiffness on Nanoparticle Segregation in Polymer/Nanoparticle Blends Near a Substrate. Macromolecular Theory and Simulations 21:2, pages 98-105.
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V. A. Ivanov, A. S. Rodionova, E. A. An, J. A. Martemyanova, M. R. Stukan, M. Müller, W. Paul & K. Binder. (2011) Orientational ordering transitions of semiflexible polymers in thin films: A Monte Carlo simulation. Physical Review E 84:4.
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Hyun Tae Jung, Bong June Sung & Arun Yethiraj. (2011) The influence of the polymer chain stiffness on tracer diffusion in polymeric matrices. Journal of Polymer Science Part B: Polymer Physics 49:11, pages 818-825.
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Giorgio Cinacchi & Luca De Gaetani. (2009) Diffusivity of wormlike particles in isotropic melts and the influence of local nematization. The Journal of Chemical Physics 130:14.
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Xiaofei Xu, Dapeng Cao & Wenchuan Wang. (2008) Orientation of rod molecules in selective slits: a density functional theory. Journal of Physics: Condensed Matter 20:42, pages 425221.
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M. Ripoll, P. Holmqvist, R. G. Winkler, G. Gompper, J. K. G. Dhont & M. P. Lettinga. (2008) Attractive Colloidal Rods in Shear Flow. Physical Review Letters 101:16.
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Venkat Padmanabhan, Sanat K. Kumar & Arun Yethiraj. (2008) Phase behavior of semiflexible polymer chains. The Journal of Chemical Physics 128:12.
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Daniel M. Kuntz & Lynn M. Walker. (2008) Nematic phases observed in amphiphilic polyelectrolyte–surfactant aggregate solutions. Soft Matter 4:2, pages 286-293.
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Alla I. Tupitsyna, Anatoly A. Darinskii, Igor Emri & Michael P. Allen. (2008) Computer simulation of anisotropic polymer brushes. Soft Matter 4:1, pages 108-121.
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A. A. Darinskii, A. I. Tupitsyna, M. P. Allen & I. Emri. (2007) Liquid crystal transitions induced by spherical particles in anisotropic polymer brushes: Molecular dynamics simulation. Polymer Science Series A 49:8, pages 944-959.
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Tao Jiang & Jianzhong Wu. (2007) Isotropic-nematic phase transition in athermal solutions of rod-coil diblock copolymers. The Journal of Chemical Physics 127:3.
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Jeff Z. Y. Chen, D. E. Sullivan & Xiangqun Yuan. (2007) Surface-Induced Liquid Crystal Transitions of Wormlike Polymers Confined in a Narrow Slit. A Mean-Field Theory. Macromolecules 40:4, pages 1187-1195.
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Hanif Bayat Movahed, Raul Cruz Hidalgo & D. E. Sullivan. (2006) Phase transitions of semiflexible hard-sphere chain liquids. Physical Review E 73:3.
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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.
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Wolfgang Paul, Marcus Muller, Kurt Binder, Mikhail R. Stukan & Viktor A. Ivanov. 2005. Computer Simulations of Liquid Crystals and Polymers. Computer Simulations of Liquid Crystals and Polymers 171 190 .
Yong Chen, Chwen-Yang Shew, Clare V. LeFave, Antoinette Ajavon & Herbert Fynewever. (2004) Molecular alignment of rigid rods in nonrigid spherical pores. The Journal of Chemical Physics 121:3, pages 1578-1586.
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Wolfgang Paul & Grant D Smith. (2004) Structure and dynamics of amorphous polymers: computer simulations compared to experiment and theory. Reports on Progress in Physics 67:7, pages 1117-1185.
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R. Diplock, D. E. Sullivan, K. M. Jaffer & S. B. Opps. (2004) Nematic-isotropic phase transition in diblock fused-sphere chain fluids. Physical Review E 69:6.
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Dhananjay M. Bhawe, Claude Cohen & Fernando A. Escobedo. (2004) Formation and Characterization of Semiflexible Polymer Networks via Monte Carlo Simulations. Macromolecules 37:10, pages 3924-3933.
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V. A. Ivanov, M. R. Stukan, M. Müller, W. Paul & K. Binder. (2003) Phase diagram of solutions of stiff-chain macromolecules: A Monte Carlo simulation. The Journal of Chemical Physics 118:22, pages 10333-10342.
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Fernando A. Escobedo. (2003) A simulation study of lyotropic isotropic–nematic phase transitions in polydisperse chain systems. The Journal of Chemical Physics 118:22, pages 10262-10275.
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Arun Yethiraj. (2003) Osmotic pressure of isotropic solutions of rodlike polymers. The Journal of Chemical Physics 118:8, pages 3904-3905.
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Carl McBride & Carlos Vega. (2002) A Monte Carlo study of the influence of molecular flexibility on the phase diagram of a fused hard sphere model. The Journal of Chemical Physics 117:22, pages 10370-10379.
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Carlos Vega, Carl McBride & Luis G. MacDowell. (2001) Liquid crystal phase formation for the linear tangent hard sphere model from Monte Carlo simulations. The Journal of Chemical Physics 115:9, pages 4203-4211.
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Carl McBride, Carlos Vega & Luis G. MacDowell. (2001) Isotropic-nematic phase transition: Influence of intramolecular flexibility using a fused hard sphere model. Physical Review E 64:1.
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K. M. Jaffer, S. B. Opps, D. E. Sullivan, B. G. Nickel & L. Mederos. (2001) The nematic-isotropic phase transition in semiflexible fused hard-sphere chain fluids. The Journal of Chemical Physics 114:7, pages 3314-3324.
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B. Fodi & R. Hentschke. (2000) Simulated phase behavior of reversibly assembled polymers. The Journal of Chemical Physics 112:15, pages 6917-6924.
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Alison Casey & Peter Harrowell. (1999) Monte Carlo simulations of smectic phase transitions in flexible–rigid–flexible molecules. The Journal of Chemical Physics 110:24, pages 12183-12192.
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K. M. Jaffer, S. B. Opps & D. E. Sullivan. (1999) The nematic–isotropic phase transition in linear fused hard-sphere chain fluids. The Journal of Chemical Physics 110:23, pages 11630-11642.
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Galen T. Pickett & Kenneth S. Schweizer. (1999) Liquid-state theory of anisotropic flexible polymer fluids. The Journal of Chemical Physics 110:14, pages 6597-6600.
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Hartmut Löwen. (1999) Anisotropic self-diffusion in colloidal nematic phases. Physical Review E 59:2, pages 1989-1995.
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