Ordering Transition in Salt-Doped Diblock Copolymers

Qin, Jian; de Pablo, Juan J.

doi:10.1021/acs.macromol.5b02643

Title: Ordering Transition in Salt-Doped Diblock Copolymers

Abstract

Lithium salt-doped block copolymers offer promise for applications as solid electrolytes in lithium ion batteries. Control of the conductivity and mechanical properties of these materials, for membrane applications relies critically on the ability to predict and manipulate their microphase separation temperature. Past attempts to predict the so-called "order-disorder transition temperature" of copolymer electrolytes have relied on approximate treatments of electrostatic interactions. In this work, we introduce a coarse-grained simulation model that treats Coulomb interactions explicitly, and we use it to investigate the ordering transition of charged block copolymers. The order-disorder transition temperature is determined from the ordering free energy, which we calculate with a high level of precision using a density-of-states approach. Our calculations allow us to discern a delicate competition between two physical effects: ion association, which raises the transition temperature, and solvent dilution, which lowers the transition temperature. Lastly, in the intermediate salt concentration regime, our results predict that the order-disorder transition temperature increases with salt content, in agreement with available experimental data.

Authors:

Qin, Jian ^[1]; de Pablo, Juan J. ^[1]

Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States, Argonne National Laboratory, Argonne, Illinois 70439, United States

Publication Date:: Tue Apr 26 00:00:00 EDT 2016

Research Org.:: Argonne National Laboratory (ANL), Argonne, IL (United States)

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

OSTI Identifier:: 1251444

Alternate Identifier(s):: OSTI ID: 1306537

Grant/Contract Number:: AC02-06CH11357

Resource Type:: Published Article

Journal Name:: Macromolecules

Additional Journal Information:: Journal Name: Macromolecules Journal Volume: 49 Journal Issue: 9; Journal ID: ISSN 0024-9297

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE

Citation Formats


                    Qin, Jian, and de Pablo, Juan J. Ordering Transition in Salt-Doped Diblock Copolymers.  United States: N. p., 2016. 
Web.  doi:10.1021/acs.macromol.5b02643.

Copy to clipboard


                    Qin, Jian, & de Pablo, Juan J. Ordering Transition in Salt-Doped Diblock Copolymers.  United States.  https://doi.org/10.1021/acs.macromol.5b02643

Copy to clipboard


                    Qin, Jian, and de Pablo, Juan J. Tue .  
"Ordering Transition in Salt-Doped Diblock Copolymers".  United States.  https://doi.org/10.1021/acs.macromol.5b02643.

Copy to clipboard


                    
@article{osti_1251444,

  title        = {Ordering Transition in Salt-Doped Diblock Copolymers},

  author       = {Qin, Jian and de Pablo, Juan J.},

  abstractNote = {Lithium salt-doped block copolymers offer promise for applications as solid electrolytes in lithium ion batteries. Control of the conductivity and mechanical properties of these materials, for membrane applications relies critically on the ability to predict and manipulate their microphase separation temperature. Past attempts to predict the so-called "order-disorder transition temperature" of copolymer electrolytes have relied on approximate treatments of electrostatic interactions. In this work, we introduce a coarse-grained simulation model that treats Coulomb interactions explicitly, and we use it to investigate the ordering transition of charged block copolymers. The order-disorder transition temperature is determined from the ordering free energy, which we calculate with a high level of precision using a density-of-states approach. Our calculations allow us to discern a delicate competition between two physical effects: ion association, which raises the transition temperature, and solvent dilution, which lowers the transition temperature. Lastly, in the intermediate salt concentration regime, our results predict that the order-disorder transition temperature increases with salt content, in agreement with available experimental data.},

  doi          = {10.1021/acs.macromol.5b02643},

  journal      = {Macromolecules},

  number       = 9,

  volume       = 49,

  place        = {United States},

  year         = {Tue Apr 26 00:00:00 EDT 2016},

  month        = {Tue Apr 26 00:00:00 EDT 2016}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Publisher's Version of Record
https://doi.org/10.1021/acs.macromol.5b02643

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 28 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Collective and single‐chain correlations near the block copolymer order–disorder transition
journal, July 1991

Barrat, Jean‐Louis; Fredrickson, Glenn H.
The Journal of Chemical Physics, Vol. 95, Issue 2
DOI: 10.1063/1.461109

Potential of mean force between a spherical particle suspended in a nematic liquid crystal and a substrate: Sphere size effects
journal, June 2004

Kim, Evelina B.; de Pablo, Juan J.
Physical Review E, Vol. 69, Issue 6
DOI: 10.1103/PhysRevE.69.061703

Dynamic mechanical and dielectric relaxations of polystyrene below the glass temperature
journal, April 1971

Yano, Okimichi; Wada, Yasaku
Journal of Polymer Science Part A-2: Polymer Physics, Vol. 9, Issue 4
DOI: 10.1002/pol.1971.160090409

Density of States–Based Molecular Simulations
journal, July 2012

Singh, Sadanand; Chopra, Manan; de Pablo, Juan J.
Annual Review of Chemical and Biomolecular Engineering, Vol. 3, Issue 1
DOI: 10.1146/annurev-chembioeng-062011-081032

Ion Solvation in Polymer Blends and Block Copolymer Melts: Effects of Chain Length and Connectivity on the Reorganization of Dipoles
journal, May 2014

Nakamura, Issei
The Journal of Physical Chemistry B, Vol. 118, Issue 21
DOI: 10.1021/jp502987a

Thermodynamic and Structural Changes in Ion-Containing Symmetric Diblock Copolymers: A Small-Angle X-ray Scattering Study
journal, December 2011

Gunkel, Ilja; Thurn-Albrecht, Thomas
Macromolecules, Vol. 45, Issue 1
DOI: 10.1021/ma201334h

Phase Behavior of Ionic Block Copolymers Studied by a Minimal Lattice Model with Short-Range Interactions
journal, July 2013

Knychała, P.; Dzięcielski, M.; Banaszak, M.
Macromolecules, Vol. 46, Issue 14
DOI: 10.1021/ma400078y

A periodic Green function for calculation of coloumbic lattice potentials
journal, May 2000

Marshall, Simon L.
Journal of Physics: Condensed Matter, Vol. 12, Issue 21
DOI: 10.1088/0953-8984/12/21/304

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

A Dielectric Study of the Effects of Melting on Molecular Relaxation in Poly(ethylene oxide) and Polyoxymethylene
journal, September 1971

Porter, Christopher; Boyd, Richard
Macromolecules, Vol. 4, Issue 5
DOI: 10.1021/ma60023a015

Ion Correlation-Induced Phase Separation in Polyelectrolyte Blends
journal, November 2013

Sing, Charles E.; Zwanikken, Jos W.; Olvera de la Cruz, Monica
ACS Macro Letters, Vol. 2, Issue 11
DOI: 10.1021/mz400511r

Simulation of Defect Reduction in Block Copolymer Thin Films by Solvent Annealing
journal, December 2014

Hur, Su-Mi; Khaira, Gurdaman S.; Ramírez-Hernández, Abelardo
ACS Macro Letters, Vol. 4, Issue 1
DOI: 10.1021/mz500705q

Theory of block copolymer solutions: nonselective good solvents
journal, March 1989

Fredrickson, Glenn H.; Leibler, Ludwik
Macromolecules, Vol. 22, Issue 3
DOI: 10.1021/ma00193a040

Phase Behavior of a Block Copolymer/Salt Mixture through the Order-to-Disorder Transition
journal, April 2014

Thelen, Jacob L.; Teran, Alexander A.; Wang, Xin
Macromolecules, Vol. 47, Issue 8
DOI: 10.1021/ma500292n

Concurrent coupling between a particle simulation and a continuum description
journal, October 2009

Müller, M.
The European Physical Journal Special Topics, Vol. 177, Issue 1
DOI: 10.1140/epjst/e2009-01172-9

Fluctuations in Symmetric Diblock Copolymers: Testing Theories Old and New
journal, June 2012

Qin, Jian; Morse, David C.
Physical Review Letters, Vol. 108, Issue 23
DOI: 10.1103/PhysRevLett.108.238301

Theory of Microphase Separation in Block Copolymers
journal, November 1980

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

Thermodynamics of Ion-Containing Polymer Blends and Block Copolymers
journal, November 2011

Nakamura, Issei; Balsara, Nitash P.; Wang, Zhen-Gang
Physical Review Letters, Vol. 107, Issue 19
DOI: 10.1103/PhysRevLett.107.198301

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

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

Ion Solvation in Liquid Mixtures: Effects of Solvent Reorganization
journal, December 2012

Nakamura, Issei; Shi, An-Chang; Wang, Zhen-Gang
Physical Review Letters, Vol. 109, Issue 25
DOI: 10.1103/PhysRevLett.109.257802

Rubbery Block Copolymer Electrolytes for Solid-State Rechargeable Lithium Batteries
journal, January 1999

Soo, Philip P.
Journal of The Electrochemical Society, Vol. 146, Issue 1
DOI: 10.1149/1.1391560

Fast Calculation of the Density of States of a Fluid by Monte Carlo Simulations
journal, January 2003

Yan, Qiliang; de Pablo, Juan J.
Physical Review Letters, Vol. 90, Issue 3
DOI: 10.1103/PhysRevLett.90.035701

Some results on the electrostatic energy of ionic crystals
journal, June 1996

Essén, Hanno; Nordmark, Arne
Canadian Journal of Chemistry, Vol. 74, Issue 6
DOI: 10.1139/v96-097

Concentration fluctuation effects on disorder–order transitions in block copolymer melts
journal, September 1991

Mayes, A. M.; de la Cruz, M. Olvera
The Journal of Chemical Physics, Vol. 95, Issue 6
DOI: 10.1063/1.461736

Polymer Electrolytes
journal, July 2013

Hallinan, Daniel T.; Balsara, Nitash P.
Annual Review of Materials Research, Vol. 43, Issue 1
DOI: 10.1146/annurev-matsci-071312-121705

Salt-doped block copolymers: ion distribution, domain spacing and effective χ parameter
journal, January 2012

Nakamura, Issei; Wang, Zhen-Gang
Soft Matter, Vol. 8, Issue 36
DOI: 10.1039/c2sm25606a

First-Order Disordered-to-Lamellar Phase Transition in Lithium Salt-Doped Block Copolymers
journal, May 2013

Nakamura, Issei; Balsara, Nitash P.; Wang, Zhen-Gang
ACS Macro Letters, Vol. 2, Issue 6
DOI: 10.1021/mz4001404

Block copolymer electrolytes for rechargeable lithium batteries
journal, November 2013

Young, Wen-Shiue; Kuan, Wei-Fan; Epps, Thomas H.
Journal of Polymer Science Part B: Polymer Physics, Vol. 52, Issue 1
DOI: 10.1002/polb.23404

Efficient field-theoretic simulation of polymer solutions
journal, December 2014

Villet, Michael C.; Fredrickson, Glenn H.
The Journal of Chemical Physics, Vol. 141, Issue 22
DOI: 10.1063/1.4902886

Investigation of the interfacial tension of complex coacervates using field-theoretic simulations
journal, January 2012

Riggleman, Robert A.; Kumar, Rajeev; Fredrickson, Glenn H.
The Journal of Chemical Physics, Vol. 136, Issue 2
DOI: 10.1063/1.3674305

Perturbative many-body expansion for electrostatic energy and field for system of polarizable charged spherical ions in a dielectric medium
journal, July 2014

Freed, Karl F.
The Journal of Chemical Physics, Vol. 141, Issue 3
DOI: 10.1063/1.4890077

Ionic Aggregate Structure in Ionomer Melts: Effect of Molecular Architecture on Aggregates and the Ionomer Peak
journal, December 2011

Hall, Lisa M.; Seitz, Michelle E.; Winey, Karen I.
Journal of the American Chemical Society, Vol. 134, Issue 1
DOI: 10.1021/ja209142b

Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of States
journal, March 2001

Wang, Fugao; Landau, D. P.
Physical Review Letters, Vol. 86, Issue 10
DOI: 10.1103/PhysRevLett.86.2050

Polymer Electrolytes for Lithium-Ion Batteries
journal, April 1998

Meyer, Wolfgang H.
Advanced Materials, Vol. 10, Issue 6, p. 439-448
DOI: 10.1002/(SICI)1521-4095(199804)10:6<439::AID-ADMA439>3.0.CO;2-I

Effect of Composition on the Phase Behavior of Ion-Containing Block Copolymers Studied by a Minimal Lattice Model
journal, March 2014

Knychała, P.; Banaszak, M.; Balsara, N. P.
Macromolecules, Vol. 47, Issue 7
DOI: 10.1021/ma402454j

Effects of Ion-Induced Cross-Linking on the Phase Behavior in Salt-Doped Polymer Blends
journal, December 2015

Ren, Chun-Lai; Nakamura, Issei; Wang, Zhen-Gang
Macromolecules, Vol. 49, Issue 1
DOI: 10.1021/acs.macromol.5b02229

Interfacial Behavior in Polyelectrolyte Blends: Hybrid Liquid-State Integral Equation and Self-Consistent Field Theory Study
journal, October 2013

Sing, Charles E.; Zwanikken, Jos W.; de la Cruz, Monica Olvera
Physical Review Letters, Vol. 111, Issue 16
DOI: 10.1103/PhysRevLett.111.168303

Adsorption of a minority component in polymer blend interfaces
journal, January 1996

Huang, C.; Olvera de la Cruz, M.
Physical Review E, Vol. 53, Issue 1
DOI: 10.1103/PhysRevE.53.812

Mechanisms Underlying Ion Transport in Lamellar Block Copolymer Membranes
journal, March 2012

Ganesan, Venkat; Pyramitsyn, Victor; Bertoni, Colleen
ACS Macro Letters, Vol. 1, Issue 4
DOI: 10.1021/mz300051x

Electrostatic control of block copolymer morphology
journal, June 2014

Sing, Charles E.; Zwanikken, Jos W.; Olvera de la Cruz, Monica
Nature Materials, Vol. 13, Issue 7
DOI: 10.1038/nmat4001

Study of volume phase transitions in polymeric nanogels by theoretically informed coarse-grained simulations
journal, January 2011

Jha, Prateek K.; Zwanikken, Jos W.; Detcheverry, François A.
Soft Matter, Vol. 7, Issue 13
DOI: 10.1039/c1sm05264k

Transitions to periodic structures in block copolymer melts
journal, July 1991

Olvera de la Cruz, Monica
Physical Review Letters, Vol. 67, Issue 1
DOI: 10.1103/PhysRevLett.67.85

Similar Records in DOE PAGES and OSTI.GOV collections:

Structure–Conductivity Relationships in Ordered and Disordered Salt-Doped Diblock Copolymer/Homopolymer Blends

Journal Article Irwin, Matthew T. ; Hickey, Robert J. ; Xie, Shuyi ; ... - Macromolecules

We examine the relationship between structure and ionic conductivity in salt-containing ternary polymer blends that exhibit various microstructured morphologies, including lamellae, a hexagonal phase, and a bicontinuous microemulsion, as well as the disordered phase. These blends consist of polystyrene (PS, M_n ≈ 600 g/mol) and poly(ethylene oxide) (PEO, M_n ≈ 400 g/mol) homopolymers, a nearly symmetric PS–PEO block copolymer (M_n ≈ 4700 g/mol), and lithium bis(trifluoromethane)sulfonamide (LiTFSI). These pseudoternary blends exhibit phase behavior that parallels that of well-studied ternary polymer blends consisting of A and B homopolymers compatibilized by an AB diblock copolymer. The utility of this framework is thatmore »« less
https://doi.org/10.1021/acs.macromol.6b01553
Structure and Thermodynamics of Hybrid Organic–Inorganic Diblock Copolymers with Salt

Journal Article Sethi, Gurmukh K. ; Jung, Ha Young ; Loo, Whitney S. ; ... - Macromolecules

© 2019 American Chemical Society. We examine the phase behavior of a hybrid organic-inorganic diblock copolymer/salt mixtures. The experimental system comprises poly(ethylene oxide)-block-polyhedral oligomeric silsesquioxane (PEO-POSS) mixed with a lithium bis(trifluoromethane sulfonyl) imide (LiTFSI) salt. Although the diblock copolymers without salt exhibit a classical order-to-disorder transition behavior with increasing temperature, the PEO-POSS/salt mixtures exhibit disorder-to-order transitions with increasing temperature. The analysis of a small-angle X-ray scattering data from the disordered state using Leibler's random phase approximation enables the determination of an effective Flory-Huggins interaction parameter, χ_eff , for the electrolytes. Unlike conventional systems, χ_eff increases with increasing temperature. A simplemore »« less
Cited by 14
https://doi.org/10.1021/acs.macromol.9b00042

Full Text Available
Effect of Lithium-Ion Concentration on Morphology and Ion Transport in Single-Ion-Conducting Block Copolymer Electrolytes

Journal Article Rojas, Adriana A. ; Inceoglu, Sebnem ; Mackay, Nikolaus G. ; ... - Macromolecules

Single-ion-conducting polymers are ideal electrolytes for rechargeable lithium batteries as they eliminate salt concentration gradients and concomitant concentration overpotentials during battery cycling. Here in this paper, we study the ionic conductivity and morphology of poly(ethylene oxide)-b-poly(styrenesulfonyllithium(trifluoromethylsulfonyl)imide) (PEO-b-PSLiTFSI) block copolymers with no added salt using ac impedance spectroscopy and small-angle X-ray scattering. The PEO molecular weight was held fixed at 5.0 kg mol^-1, and that of PSLiTFSI was varied from 2.0 to 7.5 kg mol^-1. The lithium ion concentration and block copolymer composition are intimately coupled in this system. At low temperatures, copolymers with PSLiTFSI block molecular weights ≤4.0 kg mol^-1more »« less
Cited by 81
https://doi.org/10.1021/acs.macromol.5b01193

Full Text Available
Influence of Charge Fraction on the Phase Behavior of Symmetric Single-Ion Conducting Diblock Copolymers

Journal Article Zhang, Bo ; Zheng, Caini ; Sims, Michael B. ; ... - ACS Macro Letters

A series of symmetric poly[(oligo(ethylene glycol) methyl ether methacrylate-co-oligo(ethylene glycol) propyl sodium sulfonate methacrylate)]-block-polystyrene (PsOEGMA-PS) diblock copolymers were synthesized as a model system to probe the effect of charge fraction on the phase behavior of charged-neutral single-ion conducting diblock copolymers. Small-angle X-ray scattering (SAXS) experiments showed that increasing the charge fraction does not alter the ordered phase morphology (lamellar) but increases the order–disorder transition temperature (T_ODT) significantly. Additionally, the effective Flory–Huggins interaction parameter (χ_eff) was found to increase linearly with the charge fraction, similar to the case of conventional salt-doped diblock copolymers. This indicates that the effect of counterion solvation,more »« less
https://doi.org/10.1021/acsmacrolett.1c00393

Full Text Available
Composition Dependence of the Flory–Huggins Interaction Parameters of Block Copolymer Electrolytes and the Isotaksis Point

Journal Article Loo, Whitney S. ; Sethi, Gurmukh K. ; Teran, Alexander A. ; ... - Macromolecules

The thermodynamics of block copolymer/salt mixtures were quantified through the application of Leibler’s random phase approximation to disordered small-angle X-ray scattering profiles. The experimental system is comprised of polystyrene-block-poly(ethylene oxide) (SEO) mixed with lithium bis(trifluoromethanesulfonyl)imide salt (LiTFSI), SEO/LiTFSI. The Flory–Huggins interaction parameter determined from scattering experiments, χ_SC, was found to be a function of block copolymer composition, chain length, and temperature for both salt-free and salty systems. In the absence of salt, χ_0,SC is a linear function of (Nmore »« less
Cited by 15
https://doi.org/10.1021/acs.macromol.9b00884

Full Text Available

Similar Records

Title: Ordering Transition in Salt-Doped Diblock Copolymers

Abstract

Citation Formats

Collective and single‐chain correlations near the block copolymer order–disorder transition journal, July 1991

Potential of mean force between a spherical particle suspended in a nematic liquid crystal and a substrate: Sphere size effects journal, June 2004

Dynamic mechanical and dielectric relaxations of polystyrene below the glass temperature journal, April 1971

Density of States–Based Molecular Simulations journal, July 2012

Ion Solvation in Polymer Blends and Block Copolymer Melts: Effects of Chain Length and Connectivity on the Reorganization of Dipoles journal, May 2014

Thermodynamic and Structural Changes in Ion-Containing Symmetric Diblock Copolymers: A Small-Angle X-ray Scattering Study journal, December 2011

Phase Behavior of Ionic Block Copolymers Studied by a Minimal Lattice Model with Short-Range Interactions journal, July 2013

A periodic Green function for calculation of coloumbic lattice potentials journal, May 2000

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

Universality of Block Copolymer Melts journal, August 2014

A Dielectric Study of the Effects of Melting on Molecular Relaxation in Poly(ethylene oxide) and Polyoxymethylene journal, September 1971

Ion Correlation-Induced Phase Separation in Polyelectrolyte Blends journal, November 2013

Simulation of Defect Reduction in Block Copolymer Thin Films by Solvent Annealing journal, December 2014

Theory of block copolymer solutions: nonselective good solvents journal, March 1989

Phase Behavior of a Block Copolymer/Salt Mixture through the Order-to-Disorder Transition journal, April 2014

Concurrent coupling between a particle simulation and a continuum description journal, October 2009

Fluctuations in Symmetric Diblock Copolymers: Testing Theories Old and New journal, June 2012

Theory of Microphase Separation in Block Copolymers journal, November 1980

Thermodynamics of Ion-Containing Polymer Blends and Block Copolymers journal, November 2011

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

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

Ion Solvation in Liquid Mixtures: Effects of Solvent Reorganization journal, December 2012

Rubbery Block Copolymer Electrolytes for Solid-State Rechargeable Lithium Batteries journal, January 1999

Fast Calculation of the Density of States of a Fluid by Monte Carlo Simulations journal, January 2003

Some results on the electrostatic energy of ionic crystals journal, June 1996

Concentration fluctuation effects on disorder–order transitions in block copolymer melts journal, September 1991

Polymer Electrolytes journal, July 2013

Salt-doped block copolymers: ion distribution, domain spacing and effective χ parameter journal, January 2012

First-Order Disordered-to-Lamellar Phase Transition in Lithium Salt-Doped Block Copolymers journal, May 2013

Block copolymer electrolytes for rechargeable lithium batteries journal, November 2013

Efficient field-theoretic simulation of polymer solutions journal, December 2014

Investigation of the interfacial tension of complex coacervates using field-theoretic simulations journal, January 2012

Perturbative many-body expansion for electrostatic energy and field for system of polarizable charged spherical ions in a dielectric medium journal, July 2014

Ionic Aggregate Structure in Ionomer Melts: Effect of Molecular Architecture on Aggregates and the Ionomer Peak journal, December 2011

Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of States journal, March 2001

Polymer Electrolytes for Lithium-Ion Batteries journal, April 1998

Effect of Composition on the Phase Behavior of Ion-Containing Block Copolymers Studied by a Minimal Lattice Model journal, March 2014

Effects of Ion-Induced Cross-Linking on the Phase Behavior in Salt-Doped Polymer Blends journal, December 2015

Interfacial Behavior in Polyelectrolyte Blends: Hybrid Liquid-State Integral Equation and Self-Consistent Field Theory Study journal, October 2013

Adsorption of a minority component in polymer blend interfaces journal, January 1996

Mechanisms Underlying Ion Transport in Lamellar Block Copolymer Membranes journal, March 2012

Electrostatic control of block copolymer morphology journal, June 2014

Study of volume phase transitions in polymeric nanogels by theoretically informed coarse-grained simulations journal, January 2011

Transitions to periodic structures in block copolymer melts journal, July 1991

Collective and single‐chain correlations near the block copolymer order–disorder transition
journal, July 1991

Potential of mean force between a spherical particle suspended in a nematic liquid crystal and a substrate: Sphere size effects
journal, June 2004

Dynamic mechanical and dielectric relaxations of polystyrene below the glass temperature
journal, April 1971

Density of States–Based Molecular Simulations
journal, July 2012

Ion Solvation in Polymer Blends and Block Copolymer Melts: Effects of Chain Length and Connectivity on the Reorganization of Dipoles
journal, May 2014

Thermodynamic and Structural Changes in Ion-Containing Symmetric Diblock Copolymers: A Small-Angle X-ray Scattering Study
journal, December 2011

Phase Behavior of Ionic Block Copolymers Studied by a Minimal Lattice Model with Short-Range Interactions
journal, July 2013

A periodic Green function for calculation of coloumbic lattice potentials
journal, May 2000

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

Universality of Block Copolymer Melts
journal, August 2014

A Dielectric Study of the Effects of Melting on Molecular Relaxation in Poly(ethylene oxide) and Polyoxymethylene
journal, September 1971

Ion Correlation-Induced Phase Separation in Polyelectrolyte Blends
journal, November 2013

Simulation of Defect Reduction in Block Copolymer Thin Films by Solvent Annealing
journal, December 2014

Theory of block copolymer solutions: nonselective good solvents
journal, March 1989

Phase Behavior of a Block Copolymer/Salt Mixture through the Order-to-Disorder Transition
journal, April 2014

Concurrent coupling between a particle simulation and a continuum description
journal, October 2009

Fluctuations in Symmetric Diblock Copolymers: Testing Theories Old and New
journal, June 2012

Theory of Microphase Separation in Block Copolymers
journal, November 1980

Thermodynamics of Ion-Containing Polymer Blends and Block Copolymers
journal, November 2011

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

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

Ion Solvation in Liquid Mixtures: Effects of Solvent Reorganization
journal, December 2012

Rubbery Block Copolymer Electrolytes for Solid-State Rechargeable Lithium Batteries
journal, January 1999

Fast Calculation of the Density of States of a Fluid by Monte Carlo Simulations
journal, January 2003

Some results on the electrostatic energy of ionic crystals
journal, June 1996

Concentration fluctuation effects on disorder–order transitions in block copolymer melts
journal, September 1991

Polymer Electrolytes
journal, July 2013

Salt-doped block copolymers: ion distribution, domain spacing and effective χ parameter
journal, January 2012

First-Order Disordered-to-Lamellar Phase Transition in Lithium Salt-Doped Block Copolymers
journal, May 2013

Block copolymer electrolytes for rechargeable lithium batteries
journal, November 2013

Efficient field-theoretic simulation of polymer solutions
journal, December 2014

Investigation of the interfacial tension of complex coacervates using field-theoretic simulations
journal, January 2012

Perturbative many-body expansion for electrostatic energy and field for system of polarizable charged spherical ions in a dielectric medium
journal, July 2014

Ionic Aggregate Structure in Ionomer Melts: Effect of Molecular Architecture on Aggregates and the Ionomer Peak
journal, December 2011

Efficient, Multiple-Range Random Walk Algorithm to Calculate the Density of States
journal, March 2001

Polymer Electrolytes for Lithium-Ion Batteries
journal, April 1998

Effect of Composition on the Phase Behavior of Ion-Containing Block Copolymers Studied by a Minimal Lattice Model
journal, March 2014

Effects of Ion-Induced Cross-Linking on the Phase Behavior in Salt-Doped Polymer Blends
journal, December 2015

Interfacial Behavior in Polyelectrolyte Blends: Hybrid Liquid-State Integral Equation and Self-Consistent Field Theory Study
journal, October 2013

Adsorption of a minority component in polymer blend interfaces
journal, January 1996

Mechanisms Underlying Ion Transport in Lamellar Block Copolymer Membranes
journal, March 2012

Electrostatic control of block copolymer morphology
journal, June 2014

Study of volume phase transitions in polymeric nanogels by theoretically informed coarse-grained simulations
journal, January 2011

Transitions to periodic structures in block copolymer melts
journal, July 1991