A New Hybrid Pore-Scale Simulation Method to Characterize Nanoparticles Transport and Attachment Behaviors DOI Open Access
Yue Li, Bin Yuan, Can Ke

et al.

Authorea (Authorea), Journal Year: 2023, Volume and Issue: unknown

Published: Jan. 3, 2023

A hybrid pore-scale simulation method using Lattice-Boltzmann (LB) coupled with Langevin-Dynamics (LD) is proposed to investigate the transport physics of nanoparticles in microchannel. The controlling factors (i.e., ionic strength, particle diameter and Reynolds number) are investigated attachment process NPs. It observed that a threshold value efficiency exists as strength increases about 0.01 M. Moreover, aqueous phase has critical effect on behavior For purpose quantitatively characterizing structure NP suspensions under varying conditions, general diagram including three flow patterns (isolated, transitional clustered regime) first for suspension specified number. outcomes this work provide valuable insight importance size, hydrodynamic effects NPs porous media

Language: Английский

Molecular mechanisms of pH-tunable stability and surface coverage of polypeptide films DOI Creative Commons
Adam L. Harmat, Maria Morga, Jodie L. Lutkenhaus

et al.

Applied Surface Science, Journal Year: 2023, Volume and Issue: 615, P. 156331 - 156331

Published: Jan. 4, 2023

Streaming potential and quartz crystal microbalance measurements, combined with all-atom molecular dynamics simulations, were used to study the pH dependency of adsorption two basic homopolypeptides, poly-L-lysine (PLL) poly-L-arginine (PARG), on α-quartz surface. We report that observed behavior rises from an interplay i) change in number possible peptide-surface ion pairs between charged moieties ii) repulsive electrostatic interactions polypeptide molecules. For low values, was strongest stable monolayers formed. However, repulsion polypeptides led a relatively maximum surface coverage. On other hand, higher more weakly bound, but significantly denser, peptide films limited stability. Simulations indicate are main driving force for adsorption, while hydrogen bonding non-specific also contribute. Additionally, important role counterions negatively form positively adlayer is highlighted. Ion release condensed sodium ions at occurs via displacement by adsorption. The mechanisms revealed this work provide systematic guidelines engineering active surfaces peptides controlled coverage reversible binding.

Language: Английский

Citations

11

Simulation of membrane-assisted electroseparation of binary suspension DOI Creative Commons
Nikolaï Lebovka, Nabil Grimi, Eugène Vorobiev

et al.

Journal of Applied Physics, Journal Year: 2025, Volume and Issue: 137(17)

Published: May 2, 2025

A two-dimensional Monte Carlo model for a description of electroseparation binary suspension small and big particles placed between two membranes is developed. It assumed that the are permeable only to with diameter d. The ratio particle diameters D/d varied within interval 2–10. direction electric field changed period TE. effects concentration distance electrodes electrophoretic velocity on kinetics studied. Behavior total time tf required elimination all from system discussed. At some optimal values TE, minimum value was observed.

Language: Английский

Citations

0

A random planting model DOI
J. Talbot, Pascal Viot, David Colliaux

et al.

Journal of Statistical Mechanics Theory and Experiment, Journal Year: 2025, Volume and Issue: 2025(1), P. 013402 - 013402

Published: Jan. 1, 2025

Abstract The adoption of agroecological practices will be crucial to address the challenges climate change and biodiversity loss. Such favor cultivation plants in complex mixtures with layouts differing from monoculture approach conventional agriculture. Inspired by random sequential adsorption processes, we propose a one-dimensional model which are represented as line segments that start points grow at constant rate until they reach length σ after time interval τ . planting positions times randomly chosen constraint plant overlap is forbidden. We apply an exact, event-driven simulation investigate resulting spatiotemporal patterns yields both mono- duocultures. After transient period, oscillations density coverage, field reaches steady state mean age one half maturity. structure active characterized correlation functions between fluctuation its k th neighbour. Nearest neighbours negatively correlated, while next nearest tend have similar ages. yield increases approaches maximum value 4/3 per unit time. For two species same size maturity but different growth rates, more slowly growing enriched harvest compared seed mix composition. If sizes, smaller and, sufficiently high rate, larger may completely absent. ratio σ / τ selectivity insensitive rate. This algorithms describing strategies extended higher dimensions, other assist design novel microfarms.

Language: Английский

Citations

0

Effective charge of high-generation PAMAM dendrimers in the adsorbed state DOI Creative Commons
Matthias Engelhardt, Paul Markus, Nicolas Helfricht

et al.

Journal of Colloid and Interface Science, Journal Year: 2025, Volume and Issue: 686, P. 852 - 863

Published: Feb. 2, 2025

Language: Английский

Citations

0

Percolation and jamming in random sequential adsorption of straight k -mers on square, triangular, and cubic lattices DOI
Zbigniew Koza, Grzegorz Kondrat

Physical review. E, Journal Year: 2025, Volume and Issue: 111(3)

Published: March 10, 2025

Random sequential adsorption (RSA) is one of the most widely used theoretical models macromolecule and particle adsorption. Here we consider jammed (saturated) states RSA process aligned, nonoverlapping $k$-mers (linear objects occupying $k$ consecutive lattice sites) in square, triangular, cubic lattices show that each $k$-mer such a state belongs to percolating cluster. We also discuss several generalizations our approach, including hypercubic with different lengths.

Language: Английский

Citations

0

Spectral parametrization of random particle-packings: Reducing the computational memory DOI
Paweł Weroński

Measurement, Journal Year: 2025, Volume and Issue: unknown, P. 117339 - 117339

Published: March 1, 2025

Language: Английский

Citations

0

Nanogap-Engineered Core–Shell-Like Nanostructures for Comprehensive SERS Analysis DOI Creative Commons
Mihai C. Suster, Aleksandra Szymańska, Tomasz J. Antosiewicz

et al.

ACS Applied Materials & Interfaces, Journal Year: 2025, Volume and Issue: unknown

Published: April 3, 2025

Development of fabrication protocols for large-area plasmonic nanostructures with sub-10 nm gaps a spatially controlled distribution is critical their real-world applications. In this work, we develop simple, cleanroom-free protocol the macroscopic-sized substrates (>6 cm2), featuring tunable multiresonance optical response and light concentration in gaps. Critically, these are free to interact surrounding medium. This architecture consists nonperiodically distributed dielectric nanospheres coated metal multilayer, forming semispherical core-shell-like (CSLNs) surrounded by planar film. The formed between caps film easily tuned adjusting parameters, such as multimetal layer thickness, composition, or nanosphere size density. excellent structural homogeneity, wide tunability, extreme confinement subwavelength nanogaps make CSLN-based an ideal platform comprehensive surface-enhanced Raman scattering (SERS) spectroscopy. proven through combination numerical modeling iterative fabrication/characterization, leading optimized showing cutting-edge spatial uniformity down 1.9% determined relative standard deviation (RSD) SERS signal p-mercaptobenzoic acid 225 spectra over 3600 μm2 area. High sensitivity evidenced enhancement factor ∼10.6 proposed also meet all other demanding criteria, including sufficient temporal stability (RSD <4%), high substrate-to-substrate reproducibility (<15%), activity toward three various analytes. unique geometry spectral tunability CSLN will be great value plasmon-driven

Language: Английский

Citations

0

Influence of particle parameters on deposition onto healthy and damaged human hair DOI Creative Commons

Huijun Phoebe Tham,

Kah Yuen Yip,

Srinivasulu Aitipamula

et al.

International Journal of Cosmetic Science, Journal Year: 2024, Volume and Issue: 47(1), P. 58 - 72

Published: Aug. 12, 2024

This research investigates how particle parameters, such as zeta potential, size, functional group, material composition, and hydrophobicity affect their affinity deposition of particles onto hair. Streaming potential was used the technique for analysis. The streaming data obtained then converted to surface coverage data. Scanning electron microscopy (SEM) also done visualize localization on hair surface. study found stronger healthy than damaged (oxidatively bleached) hair, due diminished interaction sites from removal shaft's external lipid layer. SEM imaging supported these findings offered insights into localization. Hydrophilic silica accumulated along exposed hydrophilic cuticle edges hydrogen bonding with endocuticle. is hypothesized be limited binding hydrophobic In an abundance across results in more dispersed binding. Hydrogen electrostatic attraction were shown predominant forces influencing deposition, interactions playing a less influential role. studies proved that attractions work over longer range are effective at lower conditions compared which only start play bigger role higher concentrations. Steric hindrance bulky side groups acted significant repulsive force. Results revealed larger deposit poorly both smaller ones. Compared neutrally charged nanoparticles (SN-2), positively PMMA (PN+16) have highly (PN+49) depositing most rapidly. provides fundamental understanding particle-surface parameters influence damaging affects deposition.

Language: Английский

Citations

2

Spectral parametrization of random particle-packings DOI Creative Commons
Paweł Weroński

Measurement, Journal Year: 2024, Volume and Issue: 241, P. 115692 - 115692

Published: Sept. 7, 2024

Language: Английский

Citations

2

Formation of modified chitosan/carrageenan multilayers at silica: Molecular dynamics modeling and experiments DOI
Aneta Michna, Agata Pomorska, Wojciech Płaziński

et al.

Food Hydrocolloids, Journal Year: 2023, Volume and Issue: 146, P. 109222 - 109222

Published: Aug. 28, 2023

Language: Английский

Citations

6