On the order-disorder transition of compressible diblock copolymer melts

Zong, Jing; Wang, Qiang

doi:10.1063/1.4934992

Title: On the order-disorder transition of compressible diblock copolymer melts

Abstract

We performed both the fast off-lattice Monte Carlo simulations of symmetric diblock copolymers (DBC) in an isothermal-isobaric ensemble and the self-consistent field calculations of asymmetric DBC to properly determine the order-disorder transition (ODT) of a model system of compressible DBC melts used in the literature when it is a first-order phase transition, and studied for the first time the co-existence of the two phases at ODT. We found that the co-existing region is quite small and decreases as the system becomes less compressible, which justifies the previous ODT results obtained by equating the Helmholtz free energy per chain of the two phases. We also found that for the most compressible system where there is no repulsion between the same type of segments, the self-consistent field theory predicts that ODT is a second-order phase transition even for asymmetric DBC melts due to its mean-field approximation.

Authors:

Zong, Jing ^[1]; Wang, Qiang ^[1]

Colorado State Univ., Fort Collins, CO (United States)

Publication Date:: Wed Nov 11 00:00:00 EST 2015

Research Org.:: Colorado State Univ., Fort Collins, CO (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1469644

Alternate Identifier(s):: OSTI ID: 1225768

Grant/Contract Number:: FG02-07ER46448

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Chemical Physics

Additional Journal Information:: Journal Volume: 143; Journal Issue: 18; Journal ID: ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 74 ATOMIC AND MOLECULAR PHYSICS

Citation Formats


                    Zong, Jing, and Wang, Qiang. On the order-disorder transition of compressible diblock copolymer melts.  United States: N. p., 2015. 
Web.  doi:10.1063/1.4934992.

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                    Zong, Jing, & Wang, Qiang. On the order-disorder transition of compressible diblock copolymer melts.  United States.  https://doi.org/10.1063/1.4934992

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                    Zong, Jing, and Wang, Qiang. Wed .  
"On the order-disorder transition of compressible diblock copolymer melts".  United States.  https://doi.org/10.1063/1.4934992.  https://www.osti.gov/servlets/purl/1469644.

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@article{osti_1469644,

  title        = {On the order-disorder transition of compressible diblock copolymer melts},

  author       = {Zong, Jing and Wang, Qiang},

  abstractNote = {We performed both the fast off-lattice Monte Carlo simulations of symmetric diblock copolymers (DBC) in an isothermal-isobaric ensemble and the self-consistent field calculations of asymmetric DBC to properly determine the order-disorder transition (ODT) of a model system of compressible DBC melts used in the literature when it is a first-order phase transition, and studied for the first time the co-existence of the two phases at ODT. We found that the co-existing region is quite small and decreases as the system becomes less compressible, which justifies the previous ODT results obtained by equating the Helmholtz free energy per chain of the two phases. We also found that for the most compressible system where there is no repulsion between the same type of segments, the self-consistent field theory predicts that ODT is a second-order phase transition even for asymmetric DBC melts due to its mean-field approximation.},

  doi          = {10.1063/1.4934992},

  journal      = {Journal of Chemical Physics},

  number       = 18,

  volume       = 143,

  place        = {United States},

  year         = {Wed Nov 11 00:00:00 EST 2015},

  month        = {Wed Nov 11 00:00:00 EST 2015}

}

Copy to clipboard

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Works referenced in this record:

Simulating Microscopic Hydrodynamic Phenomena with Dissipative Particle Dynamics
journal, June 1992

Hoogerbrugge, P. J.; Koelman, J. M. V. A.
Europhysics Letters (EPL), Vol. 19, Issue 3
DOI: 10.1209/0295-5075/19/3/001

Lower and Upper Critical Ordering Temperatures in Compressible Diblock Copolymer Melts from a Perturbed Hard-Sphere-Chain Equation of State
journal, April 1998

Hino, Toshiaki; Prausnitz, John M.
Macromolecules, Vol. 31, Issue 8
DOI: 10.1021/ma970796v

Fluctuation effects in the theory of microphase separation in block copolymers
journal, July 1987

Fredrickson, Glenn H.; Helfand, Eugene
The Journal of Chemical Physics, Vol. 87, Issue 1
DOI: 10.1063/1.453566

Universality of Block Copolymer Melts
journal, August 2014

Glaser, Jens; Medapuram, Pavani; Beardsley, Thomas M.
Physical Review Letters, Vol. 113, Issue 6
DOI: 10.1103/PhysRevLett.113.068302

Phase transitions in diblock copolymers: Theory and Monte Carlo simulations
journal, July 1993

Weyersberg, Andrea; Vilgis, Thomas A.
Physical Review E, Vol. 48, Issue 1
DOI: 10.1103/PhysRevE.48.377

Fast off-lattice Monte Carlo simulations of soft-core spherocylinders: Isotropic-nematic transition and comparisons with virial expansion
journal, October 2012

Zong, Jing; Zhang, Xinghua; Wang, Qiang
The Journal of Chemical Physics, Vol. 137, Issue 13
DOI: 10.1063/1.4755959

Concentration fluctuation effects on the phase behavior of compressible diblock copolymers
journal, May 2004

Cho, Junhan
The Journal of Chemical Physics, Vol. 120, Issue 20
DOI: 10.1063/1.1724819

Theory of Microphase Separation in Block Copolymers
journal, November 1980

Leibler, Ludwik
Macromolecules, Vol. 13, Issue 6
DOI: 10.1021/ma60078a047

Lattice cluster theory of compressible diblock copolymer melts
journal, March 1994

Dudowicz, Jacek; Freed, Karl F.
The Journal of Chemical Physics, Vol. 100, Issue 6
DOI: 10.1063/1.466248

High-Pressure Effects on the Order−Disorder Transition in Block Copolymer Melts
journal, January 1996

Hajduk, Damian A.; Gruner, Sol M.; Erramilli, Shyamsunder
Macromolecules, Vol. 29, Issue 5
DOI: 10.1021/ma950643c

On the comparisons between dissipative particle dynamics simulations and self-consistent field calculations of diblock copolymer microphase separation
journal, May 2013

Sandhu, Paramvir; Zong, Jing; Yang, Delian
The Journal of Chemical Physics, Vol. 138, Issue 19
DOI: 10.1063/1.4804608

Theoretically informed coarse grain simulations of polymeric systems
journal, August 2009

Pike, Darin Q.; Detcheverry, François A.; Müller, Marcus
The Journal of Chemical Physics, Vol. 131, Issue 8
DOI: 10.1063/1.3187936

Theory of the Interface between Immiscible Polymers. II
journal, April 1972

Helfand, Eugene; Tagami, Yukiko
The Journal of Chemical Physics, Vol. 56, Issue 7
DOI: 10.1063/1.1677735

Fluctuation/correlation effects in symmetric diblock copolymers: On the order-disorder transition
journal, September 2013

Zong, Jing; Wang, Qiang
The Journal of Chemical Physics, Vol. 139, Issue 12
DOI: 10.1063/1.4821815

The microphase separation transition in symmetric diblock copolymer melts: A Monte Carlo study
journal, June 1991

Fried, H.; Binder, K.
The Journal of Chemical Physics, Vol. 94, Issue 12
DOI: 10.1063/1.460067

Calculating the free energy of self-assembled structures by thermodynamic integration
journal, January 2008

Müller, Marcus; Daoulas, Kostas Ch.
The Journal of Chemical Physics, Vol. 128, Issue 2
DOI: 10.1063/1.2818565

Quantitative Study of Fluctuation Effects by Fast Lattice Monte Carlo Simulations. V. Incompressible Homopolymer Melts
journal, October 2014

Zhang, Pengfei; Yang, Delian; Wang, Qiang
The Journal of Physical Chemistry B, Vol. 118, Issue 41
DOI: 10.1021/jp507391j

Computer Simulation of Static and Dynamic Behavior of Diblock Copolymer Melts
journal, December 1997

Pakula, T.; Karatasos, K.; Anastasiadis, S. H.
Macromolecules, Vol. 30, Issue 26
DOI: 10.1021/ma9605107

Monte Carlo phase diagram for diblock copolymer melts
journal, January 2006

Matsen, M. W.; Griffiths, G. H.; Wickham, R. A.
The Journal of Chemical Physics, Vol. 124, Issue 2
DOI: 10.1063/1.2140286

Monte Carlo simulation of phase separations of block copolymers and of corresponding blends
journal, July 1994

Yang, Yuliang; Lu, Jianming; Yan, Dong
Macromolecular Theory and Simulations, Vol. 3, Issue 4
DOI: 10.1002/mats.1994.040030408

Lower critical ordering temperature in diblock copolymer melts
journal, March 1994

Yeung, Chuck; Desai, Rashmi C.; Shi, An-Chang
Physical Review Letters, Vol. 72, Issue 12
DOI: 10.1103/PhysRevLett.72.1834

Simulation of Lamellar Phase Transitions in Block Copolymers and Surfactants
journal, October 1994

Larson, R. G.
Molecular Simulation, Vol. 13, Issue 4-5
DOI: 10.1080/08927029408021996

Orthorhombic $F d d d$ Network in Triblock and Diblock Copolymer Melts
journal, May 2005

Tyler, Christopher A.; Morse, David C.
Physical Review Letters, Vol. 94, Issue 20
DOI: 10.1103/PhysRevLett.94.208302

Free Energy Evaluation in Field-Theoretic Polymer Simulations
journal, September 2008

Lennon, Erin M.; Katsov, Kirill; Fredrickson, Glenn H.
Physical Review Letters, Vol. 101, Issue 13
DOI: 10.1103/PhysRevLett.101.138302

Long-range density fluctuations in a symmetric diblock copolymer
journal, October 1999

Koga, Tadanori; Koga, Tsuyoshi; Kimishima, Kohtaro
Physical Review E, Vol. 60, Issue 4
DOI: 10.1103/PhysRevE.60.R3501

Phase coexistence and critical point determination in polydisperse fluids
journal, February 2001

KristÓF, TamÁS; Liszi, JÁNos
Molecular Physics, Vol. 99, Issue 3
DOI: 10.1080/00268970010009666

Effects of interaction range and compressibility on the microphase separation of diblock copolymers: Mean-field analysis
journal, August 2008

Wang, Qiang
The Journal of Chemical Physics, Vol. 129, Issue 5
DOI: 10.1063/1.2962978

On the large entropic contribution to the effective interaction parameter of polystyrene–poly(methyl methacrylate) diblock copolymer systems
journal, August 1992

Freed, Karl F.; Dudowicz, Jacek
The Journal of Chemical Physics, Vol. 97, Issue 3
DOI: 10.1063/1.463149

Monte Carlo Field-Theoretic Simulations for Melts of Symmetric Diblock Copolymer
journal, September 2013

Stasiak, P.; Matsen, M. W.
Macromolecules, Vol. 46, Issue 19
DOI: 10.1021/ma401687j

Density Discontinuity at the Microphase Separation Transition of a Symmetric Diblock Copolymer
journal, June 1995

Kasten, H.; Stuehn, B.
Macromolecules, Vol. 28, Issue 13
DOI: 10.1021/ma00117a069

Dynamic simulation of diblock copolymer microphase separation
journal, May 1998

Groot, Robert D.; Madden, Timothy J.
The Journal of Chemical Physics, Vol. 108, Issue 20
DOI: 10.1063/1.476300

Monte Carlo phase diagram for diblock copolymer melts
journal, July 2010

Beardsley, T. M.; Matsen, M. W.
The European Physical Journal E, Vol. 32, Issue 3
DOI: 10.1140/epje/i2010-10651-x

Analysis of Phase Separation in Compressible Polymer Blends and Block Copolymers
journal, March 2000

Cho, Junhan
Macromolecules, Vol. 33, Issue 6
DOI: 10.1021/ma990610n

Fluctuation effects in block copolymer melts
journal, January 2003

Vassiliev, O. N.; Matsen, M. W.
The Journal of Chemical Physics, Vol. 118, Issue 16
DOI: 10.1063/1.1562616

Relation of effective interaction parameters for binary blends and diblock copolymers: lattice cluster theory predictions and comparisons with experiment
journal, January 1993

Dudowicz, Jacek; Freed, Karl F.
Macromolecules, Vol. 26, Issue 1
DOI: 10.1021/ma00053a033

Theory of the interface between immiscible polymers
journal, October 1971

Helfand, Eugene; Tagami, Yukiko
Journal of Polymer Science Part B: Polymer Letters, Vol. 9, Issue 10
DOI: 10.1002/pol.1971.110091006

Fast off-lattice Monte Carlo simulations with “soft” repulsive potentials
journal, March 2009

Wang, Qiang; Yin, Yuhua
The Journal of Chemical Physics, Vol. 130, Issue 10
DOI: 10.1063/1.3086606

Molecular Simulation of Sucrose Solutions near the Glass Transition Temperature
journal, February 2001

Ekdawi-Sever, Nancy C.; Conrad, Paul B.; de Pablo, Juan J.
The Journal of Physical Chemistry A, Vol. 105, Issue 4
DOI: 10.1021/jp002722i

Interface Orientation and Chain Conformation in Simulated Symmetric Diblock Copolymer Lamellar Systems
journal, January 2005

Yang, Jian; Winnik, Mitchell A.; Pakula, Tadeusz
Macromolecular Theory and Simulations, Vol. 14, Issue 1
DOI: 10.1002/mats.200400073

Computer simulation of copolymer phase behavior
journal, December 2002

Schultz, Andrew J.; Hall, Carol K.; Genzer, Jan
The Journal of Chemical Physics, Vol. 117, Issue 22
DOI: 10.1063/1.1519839

Analysis of Compressible Diblock Copolymer Melts That Microphase Separate upon Cooling
journal, August 2001

Cho, Junhan
Macromolecules, Vol. 34, Issue 17
DOI: 10.1021/ma0100910

Simulation of Lamellar Phase Transitions in Block Copolymers
journal, July 1994

Larson, R. G.
Macromolecules, Vol. 27, Issue 15
DOI: 10.1021/ma00093a022

Enthalpic and Volumetric Changes at Phase Transitions of Polystyrene- b -poly(alkyl methacrylate) Copolymers and Their Pressure Dependence
journal, March 2014

Lee, Dong Hyun; Lee, Hoyeon; Lee, Yonghoon
Macromolecules, Vol. 47, Issue 6
DOI: 10.1021/ma402535w

Statics and dynamics of dense copolymer melts: A Monte Carlo simulation study
journal, April 1997

Hoffmann, Alexander; Sommer, Jens-Uwe; Blumen, Alexander
The Journal of Chemical Physics, Vol. 106, Issue 16
DOI: 10.1063/1.473668

Efficient continuum model for simulating polymer blends and copolymers
journal, December 1996

Grest, Gary S.; Lacasse, Martin‐D.; Kremer, Kurt
The Journal of Chemical Physics, Vol. 105, Issue 23
DOI: 10.1063/1.472978

The diagonal bond method: A new lattice polymer model for simulation study of block copolymers
journal, November 1996

Dotera, Tomonari; Hatano, Akira
The Journal of Chemical Physics, Vol. 105, Issue 18
DOI: 10.1063/1.472696

Use of the Weighted Histogram Analysis Method for the Analysis of Simulated and Parallel Tempering Simulations
journal, November 2006

Chodera, John D.; Swope, William C.; Pitera, Jed W.
Journal of Chemical Theory and Computation, Vol. 3, Issue 1
DOI: 10.1021/ct0502864

Universal Phenomenology of Symmetric Diblock Copolymers near the Order–Disorder Transition
journal, January 2015

Medapuram, Pavani; Glaser, Jens; Morse, David C.
Macromolecules, Vol. 48, Issue 3
DOI: 10.1021/ma5017264

Computer simulations of asymmetric block copolymers
journal, November 1997

Hoffmann, Alexander; Sommer, Jens-Uwe; Blumen, Alexander
The Journal of Chemical Physics, Vol. 107, Issue 18
DOI: 10.1063/1.474994

Statics and Dynamics of Symmetric Diblock Copolymers: A Molecular Dynamics Study
journal, February 1999

Murat, Michael; Grest, Gary S.; Kremer, Kurt
Macromolecules, Vol. 32, Issue 3
DOI: 10.1021/ma981512p

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Title: On the order-disorder transition of compressible diblock copolymer melts

Abstract

Citation Formats

Simulating Microscopic Hydrodynamic Phenomena with Dissipative Particle Dynamics journal, June 1992

Lower and Upper Critical Ordering Temperatures in Compressible Diblock Copolymer Melts from a Perturbed Hard-Sphere-Chain Equation of State journal, April 1998

Fluctuation effects in the theory of microphase separation in block copolymers journal, July 1987

Universality of Block Copolymer Melts journal, August 2014

Phase transitions in diblock copolymers: Theory and Monte Carlo simulations journal, July 1993

Fast off-lattice Monte Carlo simulations of soft-core spherocylinders: Isotropic-nematic transition and comparisons with virial expansion journal, October 2012

Concentration fluctuation effects on the phase behavior of compressible diblock copolymers journal, May 2004

Theory of Microphase Separation in Block Copolymers journal, November 1980

Lattice cluster theory of compressible diblock copolymer melts journal, March 1994

High-Pressure Effects on the Order−Disorder Transition in Block Copolymer Melts journal, January 1996

On the comparisons between dissipative particle dynamics simulations and self-consistent field calculations of diblock copolymer microphase separation journal, May 2013

Theoretically informed coarse grain simulations of polymeric systems journal, August 2009

Theory of the Interface between Immiscible Polymers. II journal, April 1972

Fluctuation/correlation effects in symmetric diblock copolymers: On the order-disorder transition journal, September 2013

The microphase separation transition in symmetric diblock copolymer melts: A Monte Carlo study journal, June 1991

Calculating the free energy of self-assembled structures by thermodynamic integration journal, January 2008

Quantitative Study of Fluctuation Effects by Fast Lattice Monte Carlo Simulations. V. Incompressible Homopolymer Melts journal, October 2014

Computer Simulation of Static and Dynamic Behavior of Diblock Copolymer Melts journal, December 1997

Monte Carlo phase diagram for diblock copolymer melts journal, January 2006

Monte Carlo simulation of phase separations of block copolymers and of corresponding blends journal, July 1994

Lower critical ordering temperature in diblock copolymer melts journal, March 1994

Simulation of Lamellar Phase Transitions in Block Copolymers and Surfactants journal, October 1994

Orthorhombic F d d d Network in Triblock and Diblock Copolymer Melts journal, May 2005

Free Energy Evaluation in Field-Theoretic Polymer Simulations journal, September 2008

Long-range density fluctuations in a symmetric diblock copolymer journal, October 1999

Phase coexistence and critical point determination in polydisperse fluids journal, February 2001

Effects of interaction range and compressibility on the microphase separation of diblock copolymers: Mean-field analysis journal, August 2008

On the large entropic contribution to the effective interaction parameter of polystyrene–poly(methyl methacrylate) diblock copolymer systems journal, August 1992

Monte Carlo Field-Theoretic Simulations for Melts of Symmetric Diblock Copolymer journal, September 2013

Density Discontinuity at the Microphase Separation Transition of a Symmetric Diblock Copolymer journal, June 1995

Dynamic simulation of diblock copolymer microphase separation journal, May 1998

Monte Carlo phase diagram for diblock copolymer melts journal, July 2010

Analysis of Phase Separation in Compressible Polymer Blends and Block Copolymers journal, March 2000

Fluctuation effects in block copolymer melts journal, January 2003

Relation of effective interaction parameters for binary blends and diblock copolymers: lattice cluster theory predictions and comparisons with experiment journal, January 1993

Theory of the interface between immiscible polymers journal, October 1971

Fast off-lattice Monte Carlo simulations with “soft” repulsive potentials journal, March 2009

Molecular Simulation of Sucrose Solutions near the Glass Transition Temperature journal, February 2001

Interface Orientation and Chain Conformation in Simulated Symmetric Diblock Copolymer Lamellar Systems journal, January 2005

Computer simulation of copolymer phase behavior journal, December 2002

Analysis of Compressible Diblock Copolymer Melts That Microphase Separate upon Cooling journal, August 2001

Simulation of Lamellar Phase Transitions in Block Copolymers journal, July 1994

Enthalpic and Volumetric Changes at Phase Transitions of Polystyrene- b -poly(alkyl methacrylate) Copolymers and Their Pressure Dependence journal, March 2014

Statics and dynamics of dense copolymer melts: A Monte Carlo simulation study journal, April 1997

Efficient continuum model for simulating polymer blends and copolymers journal, December 1996

The diagonal bond method: A new lattice polymer model for simulation study of block copolymers journal, November 1996

Use of the Weighted Histogram Analysis Method for the Analysis of Simulated and Parallel Tempering Simulations journal, November 2006

Universal Phenomenology of Symmetric Diblock Copolymers near the Order–Disorder Transition journal, January 2015

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Statics and Dynamics of Symmetric Diblock Copolymers: A Molecular Dynamics Study journal, February 1999

Simulating Microscopic Hydrodynamic Phenomena with Dissipative Particle Dynamics
journal, June 1992

Lower and Upper Critical Ordering Temperatures in Compressible Diblock Copolymer Melts from a Perturbed Hard-Sphere-Chain Equation of State
journal, April 1998

Fluctuation effects in the theory of microphase separation in block copolymers
journal, July 1987

Universality of Block Copolymer Melts
journal, August 2014

Phase transitions in diblock copolymers: Theory and Monte Carlo simulations
journal, July 1993

Fast off-lattice Monte Carlo simulations of soft-core spherocylinders: Isotropic-nematic transition and comparisons with virial expansion
journal, October 2012

Concentration fluctuation effects on the phase behavior of compressible diblock copolymers
journal, May 2004

Theory of Microphase Separation in Block Copolymers
journal, November 1980

Lattice cluster theory of compressible diblock copolymer melts
journal, March 1994

High-Pressure Effects on the Order−Disorder Transition in Block Copolymer Melts
journal, January 1996

On the comparisons between dissipative particle dynamics simulations and self-consistent field calculations of diblock copolymer microphase separation
journal, May 2013

Theoretically informed coarse grain simulations of polymeric systems
journal, August 2009

Theory of the Interface between Immiscible Polymers. II
journal, April 1972

Fluctuation/correlation effects in symmetric diblock copolymers: On the order-disorder transition
journal, September 2013

The microphase separation transition in symmetric diblock copolymer melts: A Monte Carlo study
journal, June 1991

Calculating the free energy of self-assembled structures by thermodynamic integration
journal, January 2008

Quantitative Study of Fluctuation Effects by Fast Lattice Monte Carlo Simulations. V. Incompressible Homopolymer Melts
journal, October 2014

Computer Simulation of Static and Dynamic Behavior of Diblock Copolymer Melts
journal, December 1997

Monte Carlo phase diagram for diblock copolymer melts
journal, January 2006

Monte Carlo simulation of phase separations of block copolymers and of corresponding blends
journal, July 1994

Lower critical ordering temperature in diblock copolymer melts
journal, March 1994

Simulation of Lamellar Phase Transitions in Block Copolymers and Surfactants
journal, October 1994

Orthorhombic $F d d d$ Network in Triblock and Diblock Copolymer Melts
journal, May 2005

Free Energy Evaluation in Field-Theoretic Polymer Simulations
journal, September 2008

Long-range density fluctuations in a symmetric diblock copolymer
journal, October 1999

Phase coexistence and critical point determination in polydisperse fluids
journal, February 2001

Effects of interaction range and compressibility on the microphase separation of diblock copolymers: Mean-field analysis
journal, August 2008

On the large entropic contribution to the effective interaction parameter of polystyrene–poly(methyl methacrylate) diblock copolymer systems
journal, August 1992

Monte Carlo Field-Theoretic Simulations for Melts of Symmetric Diblock Copolymer
journal, September 2013

Density Discontinuity at the Microphase Separation Transition of a Symmetric Diblock Copolymer
journal, June 1995

Dynamic simulation of diblock copolymer microphase separation
journal, May 1998

Monte Carlo phase diagram for diblock copolymer melts
journal, July 2010

Analysis of Phase Separation in Compressible Polymer Blends and Block Copolymers
journal, March 2000

Fluctuation effects in block copolymer melts
journal, January 2003

Relation of effective interaction parameters for binary blends and diblock copolymers: lattice cluster theory predictions and comparisons with experiment
journal, January 1993

Theory of the interface between immiscible polymers
journal, October 1971

Fast off-lattice Monte Carlo simulations with “soft” repulsive potentials
journal, March 2009

Molecular Simulation of Sucrose Solutions near the Glass Transition Temperature
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Interface Orientation and Chain Conformation in Simulated Symmetric Diblock Copolymer Lamellar Systems
journal, January 2005

Computer simulation of copolymer phase behavior
journal, December 2002

Analysis of Compressible Diblock Copolymer Melts That Microphase Separate upon Cooling
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Simulation of Lamellar Phase Transitions in Block Copolymers
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Enthalpic and Volumetric Changes at Phase Transitions of Polystyrene- b -poly(alkyl methacrylate) Copolymers and Their Pressure Dependence
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Statics and dynamics of dense copolymer melts: A Monte Carlo simulation study
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Efficient continuum model for simulating polymer blends and copolymers
journal, December 1996

The diagonal bond method: A new lattice polymer model for simulation study of block copolymers
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Use of the Weighted Histogram Analysis Method for the Analysis of Simulated and Parallel Tempering Simulations
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Universal Phenomenology of Symmetric Diblock Copolymers near the Order–Disorder Transition
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Computer simulations of asymmetric block copolymers
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Statics and Dynamics of Symmetric Diblock Copolymers: A Molecular Dynamics Study
journal, February 1999