Multiscale modeling and simulation of polymer nanocomposites

QH Zeng, AB Yu, GQ Lu - Progress in polymer science, 2008 - Elsevier
Polymer nanocomposites offer a wide range of promising applications because of their
much enhanced properties arising from the reinforcement of nanoparticles. However, further …

Theoretical modeling and simulations of self-assembly of copolymers in solution

Q Zhang, J Lin, L Wang, Z Xu - Progress in Polymer Science, 2017 - Elsevier
Self-assembly of copolymers in solution is a promising way to prepare novel materials. An
accurate control over the self-assembly of copolymers in solution requires a profound …

A discrete-particle model of blood dynamics in capillary vessels

W Dzwinel, K Boryczko, DA Yuen - Journal of colloid and interface science, 2003 - Elsevier
We investigate the mechanism of aggregation of red blood cells (RBC) in capillary vessels.
We use a discrete-particle model in 3D to model the flow of plasma and RBCs within a …

Study of a dissipative particle dynamics based approach for modeling suspensions

NS Martys - Journal of Rheology, 2005 - pubs.aip.org
In this paper, a dissipative particle dynamics (DPD) based approach for modeling
suspensions is examined. A series of tests is applied comparing simulation results to well …

Polyamide/carbon nanoparticles nanocomposites: A review

F Faridirad, S Ahmadi, M Barmar - Polymer Engineering & …, 2017 - Wiley Online Library
This review is designed to be a comprehensive source for polyamide (PA) nanocomposite
research, including fundamental structure/property relationships, manufacturing techniques …

Mesoscopic dynamics of colloids simulated with dissipative particle dynamics and fluid particle model

W Dzwinel, DA Yuen, K Boryczko - Molecular modeling annual, 2002 - Springer
We report results of numerical simulations of complex fluids, using a combination of discrete-
particle methods. Our molecular modeling repertoire comprises three simulation techniques …

A coarse-grained explicit solvent simulation of rheology of colloidal suspensions

V Pryamitsyn, V Ganesan - The Journal of chemical physics, 2005 - pubs.aip.org
We use a simple extension of the dissipative particle dynamics (DPD) model to address the
dynamical properties of macrosolutes immersed in complex fluid solvents. In this approach …

An agglomeration-based model for colloid filtration

J Chatterjee, SK Gupta - Environmental science & technology, 2009 - ACS Publications
This paper develops a model for colloid filtration which accounts for the possibility of
aggregation of the colloidal particles in the aqueous phase. Depth-wise variation of liquid …

[HTML][HTML] Atomistic modeling and molecular dynamic simulation of polymer nanocomposites for thermal and mechanical property characterization: A review

N Shahapure, D Shinde, A Kelkar - AIMS Materials Science, 2023 - aimspress.com
Epoxy resins are formed when epoxy monomers react with crosslinkers that have active
hydrogen sites on them such as amine and anhydrides. These cross-linked structures are …

Bridging diverse physical scales with the discrete-particle paradigm in modeling colloidal dynamics with mesoscopic features

W Dzwinel, DA Yuen, K Boryczko - Chemical Engineering Science, 2006 - Elsevier
Microstructural dynamics and boundary singularities generate complex multiresolution
patterns, which are difficult to model with the continuum approaches using partial differential …