Critical phenomena and renormalization-group theory

A Pelissetto, E Vicari - Physics Reports, 2002 - Elsevier
We review results concerning the critical behavior of spin systems at equilibrium. We
consider the Ising and the general O (N)-symmetric universality classes, including the N→ 0 …

Coarse‐graining in polymer simulation: from the atomistic to the mesoscopic scale and back

F Müller‐Plathe - ChemPhysChem, 2002 - Wiley Online Library
Polymers can be theoretically and computationally described by models pertaining to
different length scales and corresponding time scales. These models have traditionally been …

Controlled clustering and enhanced stability of polymer-coated magnetic nanoparticles

A Ditsch, PE Laibinis, DIC Wang, TA Hatton - Langmuir, 2005 - ACS Publications
The clustering and stability of magnetic nanoparticles coated with random copolymers of
acrylic acid, styrenesulfonic acid, and vinylsulfonic acid has been studied. Clusters larger …

Coarse-grained computer simulations of polymer/fullerene bulk heterojunctions for organic photovoltaic applications

DM Huang, R Faller, K Do… - Journal of Chemical Theory …, 2010 - ACS Publications
We develop coarse-grained (CG) computer simulation models of poly (3-
hexylthiophene)(P3HT) and P3HT/fullerene-C60 mixtures, in which collections of atoms from …

Coarse-grained simulations of the solution-phase self-assembly of poly (3-hexylthiophene) nanostructures

KN Schwarz, TW Kee, DM Huang - Nanoscale, 2013 - pubs.rsc.org
Under certain conditions the conjugated polymer poly (3-hexylthiophene)(P3HT) self-
assembles into high-aspect-ratio nanostructures (known as nanofibres, nanowires, or …

Synthesis and characterization of branched polyelectrolytes. 1. Preparation of hyperbranched poly (acrylic acid) via self-condensing atom transfer radical …

H Mori, DC Seng, H Lechner, M Zhang… - Macromolecules, 2002 - ACS Publications
We report on the synthesis of randomly branched (arborescent) poly (acrylic acid)(PAA) by
self-condensing vinyl copolymerization (SCVCP) of an acrylic AB* inimer, 2-(2 …

Effect of pH and molecular length on the structure and dynamics of short poly (acrylic acid) in dilute solution: Detailed molecular dynamics study

DG Mintis, VG Mavrantzas - The Journal of Physical Chemistry B, 2019 - ACS Publications
Long MD simulations are carried out using a detailed all-atom force field to investigate the
effect of pH or, equivalently, degree of ionization α–(= 0, 50, 100%) and degree of …

Organocatalytic Control over a Fuel‐Driven Transient‐Esterification Network

MP van Der Helm, CL Wang, B Fan… - Angewandte Chemie …, 2020 - Wiley Online Library
Signal transduction in living systems is the conversion of information into a chemical
change, and is the principal process by which cells communicate. In nature, these functions …

Stabilization of iron oxide nanoparticles in high sodium and calcium brine at high temperatures with adsorbed sulfonated copolymers

HG Bagaria, KY Yoon, BM Neilson, V Cheng, JH Lee… - Langmuir, 2013 - ACS Publications
A series of sulfonated random and block copolymers were adsorbed on the surface of∼ 100
nm iron oxide (IO) nanoparticles (NPs) to provide colloidal stability in extremely …

Modeling of aqueous poly (oxyethylene) solutions: 1. Atomistic simulations

J Fischer, D Paschek, A Geiger… - The Journal of Physical …, 2008 - ACS Publications
The performance of different recently proposed force fields in combination with TIP4P-Ewald
(TIP4P-Ew) water in reproducing experimental data of liquid 1, 2-dimethoxyethane (DME) …