Molecular understanding of interactions, structure, and drug encapsulation efficiency of Pluronic micelles from dissipative particle dynamics simulations
Sign Up to like & getrecommendations! Published in 2019 at "Colloid and Polymer Science"
DOI: 10.1007/s00396-019-04535-0
Abstract: AbstractIn this work, we employ coarse-grained dissipative particle dynamics simulations with the hydrogen bonds added explicitly to study the drug encapsulation property, structure, and interactions of Pluronic L64/ibuprofen combinations. The coarse-grained simulations reveal that the… read more here.
Keywords: particle dynamics; drug; coarse grained; dissipative particle ... See more keywords
Discussions on the correspondence of dissipative particle dynamics and Langevin dynamics at small scales
Sign Up to like & getrecommendations! Published in 2017 at "Applied Mathematics and Mechanics"
DOI: 10.1007/s10483-018-2258-9
Abstract: We investigate the behavior of dissipative particle dynamics (DPD) within different scaling regimes by numerical simulations. The paper extends earlier analytical findings of Ripoll, M., Ernst, M. H., and Espa˜nol, P. (Large scale and mesoscopic… read more here.
Keywords: discussions correspondence; particle dynamics; langevin dynamics; particle ... See more keywords
Improvement of energy dissipative particle dynamics method to increase accuracy
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Thermal Analysis and Calorimetry"
DOI: 10.1007/s10973-020-10362-1
Abstract: In this article, dissipative particle dynamics with energy conservation eDPD is used for simulating hydrodynamic behavior and heat transfer of DPD particles in a two-dimensional channel with parallel planes. To this end, a Fortran programming… read more here.
Keywords: particle dynamics; temperature; energy; geometry ... See more keywords
Many-body dissipative particle dynamics simulation of Newtonian and non-Newtonian nanodroplets spreading upon flat and textured substrates
Sign Up to like & getrecommendations! Published in 2020 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2020.146250
Abstract: Abstract To deposit droplets on substrates efficiently is critical for many technological and industrial applications, which requires a systematic understanding of the droplet spreading process. In the paper, mesoscopic modeling of viscous nanodroplets spreading on… read more here.
Keywords: body dissipative; particle dynamics; many body; dissipative particle ... See more keywords
Investigation of oil-in-water emulsion stability with relevant interfacial characteristics simulated by dissipative particle dynamics
Sign Up to like & getrecommendations! Published in 2018 at "Colloids and Surfaces A: Physicochemical and Engineering Aspects"
DOI: 10.1016/j.colsurfa.2018.02.063
Abstract: Abstract Oil-in-water (O/W) emulsions were prepared by using non-ionic surfactants, Tween 80 and Span 20, and the stability of the emulsions was investigated under conditions of varied HLB, emulsifier concentration, stirring time and stirring intensity.… read more here.
Keywords: oil water; dissipative particle; stability; emulsion ... See more keywords
Viscosity measurement and simulation of microbubble wetting on flat surfaces with many-body dissipative particle dynamics model
Sign Up to like & getrecommendations! Published in 2021 at "Colloids and Surfaces A: Physicochemical and Engineering Aspects"
DOI: 10.1016/j.colsurfa.2020.125559
Abstract: Abstract One of the most important flow properties of liquid is its viscosity. In the present paper, two non-equilibrium methods, Poiseuille flow method and Couette flow method, are employed to measure the viscosity of many-body… read more here.
Keywords: many body; particle dynamics; dissipative particle; viscosity ... See more keywords
Solvents induce phase separation for fabrication of Janus hybrid nanoparticles: A dissipative particle dynamics simulation
Sign Up to like & getrecommendations! Published in 2018 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2017.09.038
Abstract: Abstract Polyacrylic acid-gold (PAA-Au) Janus nanoparticles (JNPs) show a broad application prospect in many fields. However, PAA-Au JNPs are difficult to prepare and characterize due to their specific structures and properties. In this work, the… read more here.
Keywords: particle dynamics; paa nps; simulation; dissipative particle ... See more keywords
Dissipative particle dynamics parameterization and simulations to predict negative volume excess and structure of PEG and water mixtures
Sign Up to like & getrecommendations! Published in 2017 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2017.10.052
Abstract: Abstract We report the results of dissipative particle dynamics (DPD) parameterization and simulations of a mixture of hydrophilic polymer, PEG 400, and water which are known to exhibit negative volume excess property upon mixing. The… read more here.
Keywords: particle dynamics; water; dissipative particle; parameterization simulations ... See more keywords
Energy-conserving dissipative particle dynamics simulation of macromolecular solution flow in micro-channel under thermal convection
Sign Up to like & getrecommendations! Published in 2019 at "Engineering Analysis with Boundary Elements"
DOI: 10.1016/j.enganabound.2019.02.006
Abstract: Abstract Macromolecule migration coupled with heat transfer exists widely in engineering problems. Understanding the mechanisms is of great significance both for biochemical engineering and micro/nanotechnology. In this paper, the energy-conserving dissipative particle dynamics (eDPD) is… read more here.
Keywords: convection; dissipative particle; particle dynamics; thermal convection ... See more keywords
Dissipative particle dynamics simulation of cell entry into a micro-channel
Sign Up to like & getrecommendations! Published in 2019 at "Engineering Analysis with Boundary Elements"
DOI: 10.1016/j.enganabound.2019.07.004
Abstract: Abstract Cell deformability is an important biomarker which can be used to distinguish and sort between healthy and cancer cells. In this paper, we presented a dissipative particle dynamics (DPD) model for investigating cell entry… read more here.
Keywords: entry micro; particle dynamics; dissipative particle; cell entry ... See more keywords
Modified thermal periodic Poiseuille and Lees-Edwards boundary conditions for energy conservative dissipative particle dynamics
Sign Up to like & getrecommendations! Published in 2021 at "International Communications in Heat and Mass Transfer"
DOI: 10.1016/j.icheatmasstransfer.2021.105173
Abstract: Abstract Two kinds of thermal boundary conditions without wall particles in energy conservative dissipative particle dynamics method are investigated in present paper. Firstly, the original thermal periodic Poiseuille flow (PPF) was improved to avoid the… read more here.
Keywords: conservative dissipative; dissipative particle; particle dynamics; boundary conditions ... See more keywords