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

doi:10.1063/1.5099369

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

Authors:

^[1];

^[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 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:: 2019-06-07

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.

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                    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:https://doi.org/10.1063/1.5099369

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                    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:https://doi.org/10.1063/1.5099369.

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@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}

}

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DOI: https://doi.org/10.1063/1.5099369

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

Citation Formats

Mechanisms of reinforcement in polymer nanocomposites journal, January 2018

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

Increasing the density melts ultrasoft colloidal glasses journal, December 2010

How soft repulsion enhances the depletion mechanism journal, January 2015

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

Analysis of Classical Statistical Mechanics by Means of Collective Coordinates journal, April 1958

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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

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

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

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

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

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

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

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

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

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

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

Structural Aspects of the Electrical Resistivity of Binary Alloys journal, October 1970

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

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

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

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

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

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

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

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

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

Interaction between surfaces with solvophobicity or solvophilicity immersed in solvent: Effects due to addition of solvophobic or solvophilic solute journal, May 2003

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

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

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

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

Mechanisms of reinforcement in polymer nanocomposites
journal, January 2018

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

Increasing the density melts ultrasoft colloidal glasses
journal, December 2010

How soft repulsion enhances the depletion mechanism
journal, January 2015

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

Analysis of Classical Statistical Mechanics by Means of Collective Coordinates
journal, April 1958

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

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

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

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

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

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

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

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

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

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

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

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

Structural Aspects of the Electrical Resistivity of Binary Alloys
journal, October 1970

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

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

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

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

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

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

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

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

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

Interaction between surfaces with solvophobicity or solvophilicity immersed in solvent: Effects due to addition of solvophobic or solvophilic solute
journal, May 2003

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

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

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

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