Revealing structural and physical properties of polylactide: What simulation can do beyond the experimental methods

DV Guseva, MK Glagolev, AA Lazutin… - Polymer …, 2024 - Taylor & Francis
Bio-based semicrystalline polylactide (PLA) has a growing value as a substitute for fossil-
based polyesters in technical applications and as a biocompatible material in medicine. The …

Mixed matrix membranes containing functionalized multiwalled carbon nanotubes: Mesoscale simulation and experimental approach for optimizing dispersion

CH Park, E Tocci, E Fontananova, MA Bahattab… - Journal of Membrane …, 2016 - Elsevier
Separation of gases and liquids mixtures into their constituents is crucial for many industrial
processes. Accordingly, development of high performance membranes with enhanced …

Simulating transport of soft matter in micro/nano channel flows with dissipative particle dynamics

Z Xu, Y Yang, G Zhu, P Chen, Z Huang… - Advanced Theory …, 2019 - Wiley Online Library
The flow‐induced transport of various soft matter systems through a fluidic channel has
recently attracted great interest due to its significance ranging from the understanding of …

Mesoscopic simulations on the aggregation behavior of pH-responsive polymeric micelles for drug delivery

LS Zheng, YQ Yang, XD Guo, Y Sun, Y Qian… - Journal of colloid and …, 2011 - Elsevier
Computer simulations, dissipative particle dynamics (DPD) and mesoscopic dynamics
(MesoDyn), are performed to study the aggregation behavior of pH-sensitive micelles self …

Linear and non-linear dynamics of entangled linear polymer melts by modified tunable coarse-grained level Dissipative Particle Dynamics

M Yamanoi, O Pozo, JM Maia - The Journal of chemical physics, 2011 - pubs.aip.org
Dissipative particle dynamics (DPD) is a well-known simulation method for soft materials
and has been applied to a variety of systems. However, doubts have been cast recently on …

Gelation characteristics, physico-mechanical properties and degradation kinetics of micellar hydrogels

S Moeinzadeh, E Jabbari - European polymer journal, 2015 - Elsevier
Due to their high water content and diffusivity of nutrients and biomolecules, hydrogels are
very attractive as a matrix for growth factor immobilization and in situ delivery of cells to the …

Dissipative Particle Dynamics Study of SWCNT Reinforced Natural Rubber Composite System: An Important Role of Self‐Avoiding Model on Mechanical Properties

R Ketkaew, Y Tantirungrotechai - Macromolecular Theory and …, 2018 - Wiley Online Library
Dissipative particle dynamics (DPD) is used to predict the mechanical properties of
crosslinking‐polyisoprene (PI) reinforced by single‐walled carbon nanotube (SWCNT). The …

Modeling of polyethylene, poly(l-lactide), and CNT composites: a dissipative particle dynamics study

YC Wang, SP Ju, TJ Huang, HH Wang - Nanoscale research letters, 2011 - Springer
Dissipative particle dynamics (DPD), a mesoscopic simulation approach, is used to
investigate the effect of volume fraction of polyethylene (PE) and poly (l-lactide)(PLLA) on …

Investigation of structure formation mechanism of a mesoporous ZSM-5 zeolite by mesoscopic simulation

Y Ren, B Liu, T Kiryutina, H Xi, Y Qian - Chemical Physics, 2015 - Elsevier
Amphiphilic surfactant molecules have a profound influence in directing zeolite
crystallization, while the self-assembly process between the functionalized surfactant and …

Hydrogels for cell encapsulation and bioprinting

SR Pajoum Shariati, S Moeinzadeh… - Bioprinting in Regenerative …, 2015 - Springer
Hydrogels play an indispensable role as a cell supporting matrix in bioprinting. Hydrogels
are used as bio-inks for cell encapsulation and as a bio-paper for fusion and maturation of …