A5026149062- Surfactants and Colloidal Systems
- Material Dynamics and Properties
- Spectroscopy and Quantum Chemical Studies
- Block Copolymer Self-Assembly
- Electrostatics and Colloid Interactions
- Rheology and Fluid Dynamics Studies
- Lattice Boltzmann Simulation Studies
- Thermodynamic properties of mixtures
- Nanopore and Nanochannel Transport Studies
- Fluid Dynamics Simulations and Interactions
- Phase Equilibria and Thermodynamics
- Molecular spectroscopy and chirality
- Liquid Crystal Research Advancements
Durham University
2023-2024
University of Leeds
2021-2023
Engineering and Physical Sciences Research Council
2022-2023
In this article, we present a general parametrisation scheme for many-body dissipative particle dynamics (MDPD). The is based on matching model components to experimental surface tensions and chemical potentials. This allows us obtain the correct mixing behaviours of complex, multicomponent systems. methodology tested by modelling behaviour nonionic polyoxyethylene alkyl ether surfactants at an air/water interface. particular, influence number ethylene oxide units in surfactant head group...
Sodium lauryl ether sulfate (SLES) is a common anionic surfactant used in large number of personal care products. Commercial products typically contain distribution the ethoxy groups; despite this, there limited existing work studying effect groups on phase formation and structure. This particularly important for structure has viscosity, an consideration commercial Dissipative particle dynamics to simulate full diagram SLES water, including both micellar lyotropic liquid crystal phases....
Dissipative particle dynamics (DPD) provides a powerful coarse-grained simulation technique for the study of wide range soft matter systems. Here, we investigate transferability DPD models to prediction anionic surfactant phase diagrams, taking advantage fast parameter sweeps optimise choice parameters these Parameters are developed which provide good representation diagrams SDS (sodium dodecyl sulfate) and three different isomeric forms LAS (linear alkylbenzene sulfonates) across an...
Many-body particle dynamics simulations allow us to study micelle formation, meaning that quantitative predictions can be made for the mean aggregation number and critical concentration of various surfactants.
A study using both Raman spectroscopy and molecular dynamics (MD) simulations was carried out for alkyl ethoxysulfate (AES) surfactants at various concentrations in solution. Direct comparison between experiment simulation shows that the conformational changes observed MD are good agreement with those obtained via spectroscopy. We show there is an increase relative number of trans conformations increasing concentration illustrate relationship phase structure conformation, which often...
Polarisable water models are found to influence micelle formation in dissipative particle dynamics, when compared with traditional methods. The choice of model is shown counterion condensation, stability, and interactions.
We present a dissipative particle dynamics study of surfactant solutions under shear, which allows us to investigate their rheological properties. consider variety concentrations and phase structures, including micellar liquid crystal phases. It is shown that the viscosity increases as function concentration, in agreement with what expected from experimental data. also show micelles can exhibit shear-thinning behavior when shear force applied, result breaking down into smaller aggregates....
In dissipative particle dynamics, the overlap between bonded beads affects their chemical potential, which must be considered when defining parameterisations.
Surfactants are present in many everyday products such as detergents, sham-poos, paints, and foods. Because of the amphiphilic nature surfactant molecules, they self-assemble into lyotropic liquid crystal structures when solution. There exists a wide range possible solution phase structures, e.g. micellar, hexagonal, lamellar, etc, de-pending on composition. The structure these phases leads to distinct dependent rheologies. rheology can be very difficult predict numerically, therefore is...