Simulation of phase transitions in fluids

JJ de Pablo, Q Yan, FA Escobedo - Annual review of physical …, 1999 - annualreviews.org
▪ Abstract This review provides a discussion of recent techniques for simulation of phase
equilibria of complex fluids. Monte Carlo methods are emphasized over molecular dynamics …

Polymer miscibility, phase separation, morphological modifications and polymorphic transformations in dense fluids

E Kiran - The Journal of Supercritical Fluids, 2009 - Elsevier
This paper is a review of polymer solutions at high pressures with a focus on miscibility,
phase separation and morphological modifications in supercritical or compressible dense …

[KNJIGA][B] Interfacial and confined water

I Brovchenko, A Oleinikova - 2008 - books.google.com
Water in the proximity of a surface (interfacial water) is abundant on the earth. It is involved
in various physical and chemical processes and crucial for biological function. Despite …

Direct synthesis of polymer nanocapsules: self-assembly of polymer hollow spheres through irreversible covalent bond formation

D Kim, E Kim, J Lee, S Hong, W Sung… - Journal of the …, 2010 - ACS Publications
A detailed study of the direct synthesis of polymer nanocapsules, which does not require any
template, and core removal, is presented. Thiol− ene “click” reaction between a CB [6] …

Effect of branching on the interfacial properties of nonionic hydrocarbon surfactants at the air–water and carbon dioxide–water interfaces

SS Adkins, X Chen, QP Nguyen, AW Sanders… - Journal of colloid and …, 2010 - Elsevier
The interfacial tensions, surface pressures, and adsorption of nonionic hydrocarbon
surfactants at the air–water (A–W) and carbon dioxide–water (C–W) interfaces were …

Covalent Self‐Assembly and One‐Step Photocrosslinking of Tyrosine‐Rich Oligopeptides to Form Diverse Nanostructures

KI Min, G Yun, Y Jang, KR Kim, YH Ko… - Angewandte Chemie …, 2016 - Wiley Online Library
We present covalently self‐assembled peptide hollow nanocapsule and peptide lamella.
These biomimetic dityrosine peptide nanostructures are synthesized by one‐step …

[HTML][HTML] Molecular simulation of polymeric networks and gels: phase behavior and swelling

FA Escobedo, JJ De Pablo - Physics reports, 1999 - Elsevier
Polymer gels are commonly used in industrial, analytical, and domestic applications; their
uses are likely to continue expanding as gels with novel chemical and structural …

Chain conformations and phase separation in polymer solutions with varying solvent quality

Y Huang, S Cheng - Journal of Polymer Science, 2021 - Wiley Online Library
Molecular dynamics simulations are used to investigate the conformations of a single
polymer chain, represented by the Kremer‐Grest bead‐spring model, in a solution with a …

Flory-type theories of polymer chains under different external stimuli

YA Budkov, MG Kiselev - Journal of Physics: Condensed Matter, 2017 - iopscience.iop.org
In this Review, we present a critical analysis of various applications of the Flory-type theories
to a theoretical description of the conformational behavior of single polymer chains in dilute …

Reversible morphological transformation between polymer nanocapsules and thin films through dynamic covalent self‐assembly

J Kim, K Baek, D Shetty, N Selvapalam… - Angewandte Chemie …, 2015 - Wiley Online Library
A facile method has been developed for synthesizing polymer nanocapsules and thin films
using multiple in‐plane stitching of monomers by the formation of reversible disulfide …