The Journal of Physical Chemistry B

The Journal of Physical Chemistry B publishes experimental, theoretical and computational research in the area of biophysics, biomaterials, membranes, liquids, and soft matter.

In this collection, we showcase articles in the areas of liquids and soft matter, published in 2019 and 2020, that researchers have been reading, sharing, and citing.

Liquids

Soft Matter

Liquids Articles

Scalable Screening of Soft Matter: A Case Study of Mixtures of Ionic Liquids and Organic Solvents

Matthew W. Thompson, Ray Matsumoto, Robert L. Sacci, Nicolette C. Sanders, and Peter T. Cummings

Anatomy of Microscopic Structure of Ethaline Deep Eutectic Solvent Decoded through Molecular Dynamics Simulations

Supreet Kaur, Akshay Malik, and Hemant K. Kashyap

Solvation Structure and Dynamics of Li⁺ in Ternary Ionic Liquid–Lithium Salt Electrolytes

Qianwen Huang, Tuanan C. Lourenço, Luciano T. Costa,

Yong Zhang, Edward J. Maginn, and Burcu Gurkan

Aqueous Mixtures of Urea and Trimethylamine-N-oxide: Evidence for Kosmotropic or Chaotropic Behavior?

Ewa Anna Oprzeska-Zingrebe and Jens Smiatek

Reorientation of Deeply Cooled Water in Mesoporous Silica: NMR Studies of the Pore-Size Dependence

M. Weigler, M. Brodrecht, G. Buntkowsky, and M. Vogel

Possible Proton Conduction Mechanism in Pseudo-Protic Ionic Liquids: A Concept of Specific Proton Conduction

Hikari Watanabe, Tatsuya Umecky, Nana Arai, Andreas Nazet, Toshiyuki Takamuku, Kenneth R. Harris, Yasuo Kameda, Richard Buchner, and Yasuhiro Umebayashi

Transport Properties of Li-TFSI Water-in-Salt Electrolytes

Z. Li, R. Bouchal, T. Mendez-Morales, A.-L. Rollet,

C. Rizzi, S. Le Vot, F. Favier, B. Rotenberg,

O. Borodin, O. Fontaine, and M. Salanne

On the Use of the Angell–Walden Equation To Determine the “Ionicity” of Molten Salts and Ionic Liquids

Kenneth R. Harris

Strategy To Form Eutectic Molecular Liquids Based on Noncovalent Interactions

Dongkun Yu and Tiancheng Mu

Effect of Ions on Water Dynamics in Dilute and Concentrated Aqueous Salt Solutions

Damien Laage and Guillaume Stirnemann

Structural, Thermodynamic, and Transport Properties of Aqueous Reline and Ethaline Solutions from Molecular Dynamics Simulations

Alper T. Celebi, Thijs J. H. Vlugt, and Othonas A. Moultos

Correlation Length in Concentrated Electrolytes: Insights from All-Atom Molecular Dynamics Simulations

Samuel W. Coles, Chanbum Park, Rohit Nikam, Matej Kanduč, Joachim Dzubiella, and Benjamin Rotenberg

Polariton-Mediated Electron Transfer via Cavity Quantum Electrodynamics

Arkajit Mandal, Todd D. Krauss, and Pengfei Huo

Cation Hydration and Ion Pairing in Aqueous Solutions of MgCl₂and CaCl₂

Sergej Friesen, Glenn Hefter, and Richard Buchner

Kinetic Control of [AuCl₄]⁻ Photochemical Reduction and Gold Nanoparticle Size with Hydroxyl Radical Scavengers

Laysa M. Frias Batista, Victoria Kathryn Meader,

Katherine Romero, Karli Kunzler, Fariha Kabir, Amazin Bullock, and Katharine Moore Tibbetts

Liquid Structure and Transport Properties of the Deep Eutectic Solvent Ethaline

Yong Zhang, Derrick Poe, Luke Heroux, Henry Squire,

Brian W. Doherty, Zhuoran Long, Mark Dadmun,

Burcu Gurkan, Mark E. Tuckerman, and Edward J. Maginn

Are There Magic Compositions in Deep Eutectic Solvents? Effects of Composition and Water Content in Choline Chloride/Ethylene Glycol from Ab Initio Molecular Dynamics

Vahideh Alizadeh, Friedrich Malberg, Agílio A. H. Pádua, and Barbara Kirchner

Ternary Deep Eutectic Solvent Behavior of Water and Urea–Choline Chloride Mixtures

Parker J. Smith, Crystal B. Arroyo, Felipe Lopez Hernandez, and John C. Goeltz

How Hydration Affects the Microscopic Structural Morphology in a Deep Eutectic Solvent

Supreet Kaur, Aditya Gupta, and Hemant K. Kashyap

Molecular Dynamics Simulation of Pure n-Alkanes and Their Mixtures at Elevated Temperatures Using Atomistic and Coarse-Grained Force Fields

Konstantinos D. Papavasileiou, Loukas D. Peristeras,

Andreas Bick, and Ioannis G. Economou

Soft Matter Articles

Mechanistic Study of Stress Relaxation in Urethane-Containing Polymer Networks

Jacob P. Brutman, David J. Fortman, Guilhem X. De Hoe, William R. Dichtel, and Marc A. Hillmyer

Atomistic Scale Analysis of the Carbonization Process for C/H/O/N-Based Polymers with the ReaxFF Reactive Force Field

Malgorzata Kowalik, Chowdhury Ashraf, Behzad Damirchi, Dooman Akbarian, Siavash Rajabpour, and Adri C. T. van Duin

Modified Entropy Scaling of the Transport Properties of the Lennard-Jones Fluid

Ian H. Bell, Richard Messerly, Monika Thol,

Lorenzo Costigliola, and Jeppe C. Dyre

pH-Responsive Biocompatible Supramolecular Peptide Hydrogel

Goutam Ghosh, Ranajit Barman, Jayita Sarkar, and

Suhrit Ghosh

Improved Temperature Behavior of PNIPAM in Water with a Modified OPLS Model

Cahit Dalgicdir and Nico F. A. van der Vegt

Collective Motion in the Interfacial and Interior Regions of Supported Polymer Films and Its Relation to Relaxation

Wengang Zhang, Francis W. Starr, and Jack F. Douglas

Statistical Mechanical Modeling of Borate Glass Structure and Topology: Prediction of Superstructural Units and Glass Transition Temperature

Mikkel S. Bødker, John C. Mauro, Randall E. Youngman, and Morten M. Smedskjaer

Measurement of Three Transport Coefficients and the Thermodynamic Factor in Block Copolymer Electrolytes with Different Morphologies

Michael D. Galluzzo, Whitney S. Loo, Andrew A. Wang,

Amber Walton, Jacqueline A. Maslyn, and Nitash P. Balsara

Drying Kinetics of Salt Solution Droplets: Water Evaporation Rates and Crystallization

F. K. A. Gregson, J. F. Robinson, R. E. H. Miles, C. P. Royall, and J. P. Reid

Equilibrium Model for Supramolecular Copolymerizations

Huub M. M. ten Eikelder, Beatrice Adelizzi,

Anja R. A. Palmans, and Albert J. Markvoort

Source of JG-Relaxation in the Entropy of Glass

G. P. Johari

Identifying and Tracking Defects in Dynamic Supramolecular Polymers

Piero Gasparotto, Davide Bochicchio, Michele Ceriotti, and Giovanni M. Pavan

Coil–Globule Transition Thermodynamics of Poly(N-isopropylacrylamide)

Maren Podewitz, Yin Wang, Patrick K. Quoika,

Johannes R. Loeffler, Michael Schauperl, and Klaus R. Liedl

Aggregation Behavior of Polyether Based Siloxane Surfactants in Aqueous Solutions: Effect of Alkyl Groups and Steric Hindrance

Jinglin Tan, Xiaomei Xiong, Ziyan He, Fei Cao, and Desi Su

Transfer Free Energies and Partitioning of Small Molecules in Collapsed PNIPAM Polymers

Matej Kanduč, Won Kyu Kim, Rafael Roa, and

Joachim Dzubiella

Orientation Approach to Directional Photodeformations in Glassy Side-Chain Azopolymers

Bharti Yadav, Jan Domurath, Kwangjin Kim, Seungwoo Lee, and Marina Saphiannikova

The Importance of the Water Molecular Quadrupole for Estimating Interfacial Potential Shifts Acting on Ions Near the Liquid–Vapor Interface

Carrie C. Doyle, Yu Shi, and Thomas L. Beck

Morphology Control of Novel Cross-Linked Ferrocenedimethanol Derivative Cyclophosphazenes: From Microspheres to Nanotubes and Their Enhanced Physicochemical Performances

Yasir Abbas, Zareen Zuhra, Majid Basharat, Munan Qiu, Zhanpeng Wu, Dezhen Wu, and Shafqat Ali

Universal and Nonuniversal Aspects of Electrostatics in Aqueous Nanoconfinement

Philip Loche, Cihan Ayaz, Amanuel Wolde-Kidan,

Alexander Schlaich, and Roland R. Netz

Enhancing the Dynamics of Water Confined between Graphene Oxide Surfaces with Janus Interfaces: A Molecular Dynamics Study

Rajasekaran M and K. Ganapathy Ayappa

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