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Title: Local structure, thermodynamics, and phase behavior of asymmetric particle mixtures: Comparison between integral equation theories and simulation

Authors:
ORCiD logo [1]; ORCiD logo [2]
  1. Department of Materials Science, University of Illinois, 1304 West Green Street, Urbana, Illinois 61801-3028, USA, Materials Research Laboratory, University of Illinois, 1304 West Green Street, Urbana, Illinois 61801-3028, USA
  2. Department of Materials Science, University of Illinois, 1304 West Green Street, Urbana, Illinois 61801-3028, USA, Materials Research Laboratory, University of Illinois, 1304 West Green Street, Urbana, Illinois 61801-3028, USA, Department of Chemical and Biomolecular Engineering, University of Illinois, 1304 West Green Street, Urbana, Illinois 61801-3028, USA, Department of Chemistry, University of Illinois, 1304 West Green Street, Urbana, Illinois 61801-3028, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1524487
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 150 Journal Issue: 21; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Zhou, Yuxing, and Schweizer, Kenneth S. Local structure, thermodynamics, and phase behavior of asymmetric particle mixtures: Comparison between integral equation theories and simulation. United States: N. p., 2019. Web. doi:10.1063/1.5099369.
Zhou, Yuxing, & Schweizer, Kenneth S. Local structure, thermodynamics, and phase behavior of asymmetric particle mixtures: Comparison between integral equation theories and simulation. United States. doi:10.1063/1.5099369.
Zhou, Yuxing, and Schweizer, Kenneth S. Fri . "Local structure, thermodynamics, and phase behavior of asymmetric particle mixtures: Comparison between integral equation theories and simulation". United States. doi:10.1063/1.5099369.
@article{osti_1524487,
title = {Local structure, thermodynamics, and phase behavior of asymmetric particle mixtures: Comparison between integral equation theories and simulation},
author = {Zhou, Yuxing and Schweizer, Kenneth S.},
abstractNote = {},
doi = {10.1063/1.5099369},
journal = {Journal of Chemical Physics},
number = 21,
volume = 150,
place = {United States},
year = {2019},
month = {6}
}

Journal Article:
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Works referenced in this record:

Mechanisms of reinforcement in polymer nanocomposites
journal, January 2018

  • Molinari, N.; Sutton, A. P.; Mostofi, A. A.
  • Physical Chemistry Chemical Physics, Vol. 20, Issue 35
  • DOI: 10.1039/c8cp03281e

The demixing and gas–liquid instability of a binary Yukawa fluid
journal, September 1992

  • Chen, X. S.; Forstmann, F.
  • The Journal of Chemical Physics, Vol. 97, Issue 5
  • DOI: 10.1063/1.462951

Increasing the density melts ultrasoft colloidal glasses
journal, December 2010


Segmental Dynamics of Polymer Melts with Spherical Nanoparticles
journal, July 2014

  • Gong, Shushan; Chen, Quan; Moll, Joseph F.
  • ACS Macro Letters, Vol. 3, Issue 8
  • DOI: 10.1021/mz500252f

Freezing of binary mixtures of colloidal hard spheres
journal, July 1990

  • Bartlett, P.; Ottewill, R. H.; Pusey, P. N.
  • The Journal of Chemical Physics, Vol. 93, Issue 2
  • DOI: 10.1063/1.459142

Integral equations for classical fluids: I. The hard sphere case
journal, September 1980


Some physical properties of the Weeks–Chandler–Andersen fluid
journal, January 2006


The mean spherical approximation and effective pair potentials in liquids
journal, April 1980

  • Madden, William G.; Rice, Stuart A.
  • The Journal of Chemical Physics, Vol. 72, Issue 7
  • DOI: 10.1063/1.439651

Phase separation of asymmetric binary hard-sphere fluids
journal, April 1991


Integral equation theory for Lennard‐Jones fluids: The bridge function and applications to pure fluids and mixtures
journal, May 1996

  • Duh, Der‐Ming; Henderson, Douglas
  • The Journal of Chemical Physics, Vol. 104, Issue 17
  • DOI: 10.1063/1.471391

Many body effects on the phase separation and structure of dense polymer-particle melts
journal, June 2008

  • Hall, Lisa M.; Schweizer, Kenneth S.
  • The Journal of Chemical Physics, Vol. 128, Issue 23
  • DOI: 10.1063/1.2938379

Phase behavior of a blend of polymer-tethered nanoparticles with diblock copolymers
journal, December 2005

  • Reister, Ellen; Fredrickson, Glenn H.
  • The Journal of Chemical Physics, Vol. 123, Issue 21
  • DOI: 10.1063/1.2117008

Chemical potentials based on the molecular distribution functions. An exact diagrammatical representation and the star function
journal, December 1992

  • Lee, Lloyd L.
  • The Journal of Chemical Physics, Vol. 97, Issue 11
  • DOI: 10.1063/1.463379

Equation of state of polymer melts: General formulation of a microscopic integral equation theory
journal, September 1988

  • Schweizer, Kenneth S.; Curro, John G.
  • The Journal of Chemical Physics, Vol. 89, Issue 5
  • DOI: 10.1063/1.454943

Nanoparticle Dispersion and Aggregation in Polymer Nanocomposites: Insights from Molecular Dynamics Simulation
journal, June 2011

  • Liu, Jun; Gao, Yangyang; Cao, Dapeng
  • Langmuir, Vol. 27, Issue 12
  • DOI: 10.1021/la201073m

Structure, surface excess and effective interactions in polymer nanocomposite melts and concentrated solutions
journal, October 2004

  • Hooper, J. B.; Schweizer, K. S.; Desai, T. G.
  • The Journal of Chemical Physics, Vol. 121, Issue 14
  • DOI: 10.1063/1.1790831

Integral equation theory of polymer melts: intramolecular structure, local order, and the correlation hole
journal, October 1988

  • Schweizer, Kenneth S.; Curro, John G.
  • Macromolecules, Vol. 21, Issue 10
  • DOI: 10.1021/ma00188a027

On Interaction between Two Bodies Immersed in a Solution of Macromolecules
journal, July 1954

  • Asakura, Sho; Oosawa, Fumio
  • The Journal of Chemical Physics, Vol. 22, Issue 7
  • DOI: 10.1063/1.1740347

Big Effect of Small Nanoparticles: A Shift in Paradigm for Polymer Nanocomposites
journal, January 2017


Assessment of the micro-structure and depletion potentials in two-dimensional binary mixtures of additive hard-disks
journal, September 2016

  • Perera-Burgos, Jorge Adrián; Méndez-Alcaraz, José Miguel; Pérez-Ángel, Gabriel
  • The Journal of Chemical Physics, Vol. 145, Issue 10
  • DOI: 10.1063/1.4962423

Note: Depletion potentials in non-additive asymmetric binary mixtures of hard-spheres
journal, January 2014

  • Estrada-Alvarez, César D.; López-Sánchez, Erik; Pérez-Ángel, Gabriel
  • The Journal of Chemical Physics, Vol. 140, Issue 2
  • DOI: 10.1063/1.4861220

Hypernetted‐chain closure with bridge diagrams. Asymmetric hard sphere mixtures
journal, April 1990

  • Attard, Phil; Patey, G. N.
  • The Journal of Chemical Physics, Vol. 92, Issue 8
  • DOI: 10.1063/1.458556

Demixing transition, structure, and depletion forces in binary mixtures of hard-spheres: The role of bridge functions
journal, September 2013

  • López-Sánchez, Erik; Estrada-Álvarez, César D.; Pérez-Ángel, Gabriel
  • The Journal of Chemical Physics, Vol. 139, Issue 10
  • DOI: 10.1063/1.4820559

Polymers at Interfaces and the Interactions in Colloidal Dispersions
journal, January 1976


The direct correlation functions and bridge functions for hard spheres near a large hard sphere
journal, October 1994

  • Henderson, Douglas; Chan, Kwong‐yu; Degrève, Léo
  • The Journal of Chemical Physics, Vol. 101, Issue 8
  • DOI: 10.1063/1.468324

Coarse-grained molecular dynamics simulations of depletion-induced interactions for soft matter systems
journal, December 2014

  • Shendruk, Tyler N.; Bertrand, Martin; Harden, James L.
  • The Journal of Chemical Physics, Vol. 141, Issue 24
  • DOI: 10.1063/1.4903992

Integral equations for classical fluids: II. Hard spheres again
journal, April 1981


Self‐consistent integral equations for fluid pair distribution functions: Another attempt
journal, February 1986

  • Zerah, Gilles; Hansen, Jean‐Pierre
  • The Journal of Chemical Physics, Vol. 84, Issue 4
  • DOI: 10.1063/1.450397

Depletion forces in bulk and in confined domains: From Asakura–Oosawa to recent statistical physics advances
journal, February 2015

  • Trokhymchuk, Andrij; Henderson, Douglas
  • Current Opinion in Colloid & Interface Science, Vol. 20, Issue 1
  • DOI: 10.1016/j.cocis.2014.12.004

Depletion effects in binary hard-sphere fluids
journal, December 1996

  • Biben, Thierry; Bladon, Peter; Frenkel, Daan
  • Journal of Physics: Condensed Matter, Vol. 8, Issue 50
  • DOI: 10.1088/0953-8984/8/50/008

Integral Euqations for Fluids with Long-Range and Short-Range Potentials: Application to a Charged Particle System
journal, August 1973

  • Chihara, Junzo
  • Progress of Theoretical Physics, Vol. 50, Issue 2
  • DOI: 10.1143/ptp.50.409

Integral equation theory description of phase equilibria in classical fluids
journal, September 1996


Structure and Dynamics of a Polymer–Nanoparticle Composite: Effect of Nanoparticle Size and Volume Fraction
journal, July 2018


Entropically Driven Surface Phase Separation in Binary Colloidal Mixtures
journal, January 1994


Contact Aggregation, Bridging, and Steric Stabilization in Dense Polymer−Particle Mixtures
journal, October 2005

  • Hooper, Justin B.; Schweizer, Kenneth S.
  • Macromolecules, Vol. 38, Issue 21
  • DOI: 10.1021/ma051318k

Integral equation theory for compressible polymer alloys: thermodynamics, scattering, and miscibility of Gaussian chains
journal, December 1991

  • Curro, John G.; Schweizer, Kenneth S.
  • Macromolecules, Vol. 24, Issue 25
  • DOI: 10.1021/ma00025a028

Phase diagram of highly asymmetric binary hard-sphere mixtures
journal, May 1999


New method for the calculation of the pair correlation function. I
journal, January 1959


An accurate integral equation for molecular fluids.: I. Hard homonuclear diatomics
journal, May 1991


T1 process and dynamics in glass-forming hard-sphere liquids
journal, January 2015


Entropic forces in dilute colloidal systems
journal, May 2006

  • Castañeda-Priego, R.; Rodríguez-López, A.; Méndez-Alcaraz, J. M.
  • Physical Review E, Vol. 73, Issue 5
  • DOI: 10.1103/physreve.73.051404

A geometrical criterion for glass transition in soft-sphere fluids
journal, January 2018


Random close packing from hard-sphere Percus-Yevick theory
journal, January 2019


Depletion potential in hard-sphere mixtures:  Theory and applications
journal, October 2000