A5058489160- Electrostatics and Colloid Interactions
- Electrospun Nanofibers in Biomedical Applications
- Polymer Surface Interaction Studies
- Metal-Organic Frameworks: Synthesis and Applications
- Advanced Sensor and Energy Harvesting Materials
- Surfactants and Colloidal Systems
- Supramolecular Chemistry and Complexes
- Spectroscopy and Quantum Chemical Studies
- Supramolecular Self-Assembly in Materials
- Material Dynamics and Properties
- Supercapacitor Materials and Fabrication
- Electrowetting and Microfluidic Technologies
- Boron Compounds in Chemistry
- Machine Learning in Materials Science
- Advanced Nanomaterials in Catalysis
- Magnesium Oxide Properties and Applications
- Dielectric materials and actuators
- Surface Modification and Superhydrophobicity
- Thermodynamic properties of mixtures
- Polymer Nanocomposites and Properties
- Electrohydrodynamics and Fluid Dynamics
- Covalent Organic Framework Applications
- Molecular Sensors and Ion Detection
- Textile materials and evaluations
- Pickering emulsions and particle stabilization
University of California, Santa Barbara
2024-2025
California Institute of Technology
2020-2023
University of Cambridge
2019-2021
University of Sheffield
2020
Division of Chemistry
2020
Arizona State University
2015-2018
Electrospun poly(vinyl cinnamate) (PVCi) nanofibers were cross-linked for varying times to study the impact it has on fiber stability at elevated temperatures and in dimethylformamide solutions. UiO-66 impregnated PVCi was cross-linked, secondary growth of crystals performed. The temperature number growths analyzed through powder X-ray diffraction, scanning electron microscopy, Fourier transform infrared spectroscopy. A membrane that underwent three cycles 100 °C further characterized...
Understanding the phase behavior and dynamics of multi-component polymeric systems is essential for designing materials used in applications ranging from biopharmaceuticals to consumer products. While computational tools understanding equilibrium properties such are relatively mature, simulation platforms investigating non-equilibrium comparatively less developed. Dynamic self-consistent field theory (DSCFT) a method that retains microscopic thermodynamics while enabling continuum-level...
The ability of polyelectrolytes to condense into a liquidlike, polyelectrolyte-rich phase out dilute supernatant through complex coacervation has led fascinating phenomena, such as membraneless organelles and self-assembled capsules for drug delivery. Recent experiments have demonstrated that heating above lower critical solution temperature (LCST) can drive coacervation. Here, we show coarse-grained model electrostatic correlations is sufficient an LCST when accounting the empirical...
The quality of nanoparticle dispersion in a polymer matrix significantly influences the macroscopic properties composite material. Like general polymer–nanoparticle composites, electrospun nanofiber composites do not have an adopted quantitative model for throughout matrix, often relying on qualitative assessment. Being such influential property, quantifying is essential process optimization and understanding factors influencing dispersion. Here, simulation was developed to quantify effects...
Abstract End-tethered polyelectrolytes are widely used to modify substrate properties, particularly for lubrication or wetting. External stimuli, such as pH, salt concentration, an electric field, can induce profound structural responses in weak polyelectrolyte brushes, which be utilized further tune properties. We study the structure and electroresponsiveness of polyacid brushes using inhomogeneous theory that incorporates both electrostatic chain connectivity correlations at Debye–Hückel...
Implicit solvent models that reduce degrees of freedom into effective interaction potentials are widely used in the study soft materials and biophysical systems. For electrolyte polyelectrolyte solutions, coarse-graining an dielectric constant embeds entropic contributions temperature dependence constant. Properly accounting for this electrostatic entropy is essential to discern whether a free energy change enthalpically or entropically driven. We address origin interactions dipolar provide...
Developing electrospun nanofiber/nanoparticle composites (ENNCs) is an emerging strategy for immobilizing functional particles a variety of applications. The radial location the particle along fiber, either at surface or in bulk, has implication into resulting properties. To explore fibers, ZIF-8 impregnated poly(ethylene oxide) (PEO) nanofibers are formed by electrospinning suspensions. Fibers with two different sizes (200 nm and 12.5 μm) were shown nitrogen porosimetry to be nearly...
In an age of information, visualizing and discerning meaning from data is as important its collection. Interactive visualization addresses both fronts by allowing researchers to explore beyond what static images can offer. Here, we present Wiz, a web-based application for handling large amounts data. Wiz does not require programming or downloadable software use allows scientists non-scientists unravel the complexity splitting their relationships through 5D visual analytics, performing...
The scalable production of uniformly distributed graphene (GR)-based composite materials remains a sizable challenge. While GR-polymer nanocomposites can be manufactured at large scale, processing limitations result in poor control over the homogeneity hydrophobic GR sheets matrices. Such processes often difficulties controlling stability and avoiding aggregation, therefore eliminating benefits that might have otherwise arisen from nanoscopic dimensions GR. Here, we report an exfoliated...
The separation of challenging mixtures through adsorption is a multidimensional problem that requires holistic approach. Our toolbox combines experiments, molecular and process simulations with data visualization to find optimal, porous materials.
Polymer-mediated interaction between two solid surfaces is directly connected to the properties of adsorbed polymer layers. Nonelectrostatic interactions with a surface can significantly impact adsorption polyelectrolytes charged surfaces. We use classical density functional theory study effect various polyelectrolyte solution on and like-charged Our results show that nonelectrostatic not only enhance but also result in qualitatively different salt effects respect amount. In particular, we...
Wetting transitions and contact angles for polyelectrolyte complex coacervates are explored using a mean-field theory. An applied electrostatic surface potential can dramatically improve wettability, depending on the polymer–substrate affinity.
The available blue energy (or salinity gradient energy) in a capacitive double-layer expansion (CDLE) process is directly determined by the interplay between adsorption and release of ions from electrodes at different salt concentrations. In this work, we explore effect asymmetric preferential ion nanoporous anode cathode surfaces as means to enhance energy. We find that can not only output but also shift supplied potential difference CDLE toward "spontaneous voltage". determine maximum for...
The structure and morphology of ionic aggregates in ionomer melts significantly influence their ion transport properties. Understanding the underlying mechanisms relevant time scales can facilitate design viable materials as single-ion conductors for energy applications. Previous studies have characterized aggregate structure, morphology, dynamics using non-polarizable coarse-grained molecular (CGMD) simulations. In this work, we examine role polarization by explicitly incorporating Drude...
Electric double layers are ubiquitous in science and engineering of current interest, owing to their applications the stabilization colloidal suspensions as supercapacitors. While structure properties electric electrolyte solutions near a charged surface well characterized, there subtleties calculating thermodynamic from free energy system with surfaces. These arise difference between systems constant charge potential. In this work, we present systematic, pedagogical framework properly...
Supramolecular polymer networks exhibit unique and tunable thermodynamic dynamic properties that are attractive for a wide array of applications, such as adhesives, rheology modifiers, compatibilizers. Coherent states (CS) field theories have emerged powerful approach describing the possibly infinite reaction products result from associating polymers. Up to this point, CS focused on relatively simple architectures. In work, we develop an extension framework study polymers with reversible...
Developing phase diagrams for inhomogeneous systems in thermodynamics is difficult, part, due to the large space and possibility of unstable metastable solutions arising from first-order transitions. Pseudo-arclength continuation (PAC) a method that allows one trace out stable nonlinear systems. Typically, PAC utilizes Jacobian order implement Newton (or quasi-Newton) steps. In this work, we present Jacobian-free amenable usual workflows thermodynamics. We demonstrate our have transitions,...
In an age of information, visualising and discerning meaning from data is as important its collection. Interactive visualisation addresses both fronts by allowing researchers to explore beyond what static images can offer. Here, we present Wiz, a web-based application for handling visualizing large amounts data. Wiz does not require programming or downloadable software use allows scientists non-scientists unravel the complexity splitting their relationships through 5 dimensional (5D) visual...
<div>The scalable production of uniformly distributed graphene (GR)-based composite materials remains a sizable challenge. While GR-polymer nanocomposites can be manufactured at large scale, processing limitations result in poor control over the homogeneity hydrophobic GR sheets matrices. Such processes often difficulties controlling stability and avoiding aggregation, therefore eliminating benefits that might have otherwise arisen from nanoscopic dimensions GR. Here, we report an...
The scalable production of uniformly distributed graphene (GR)-based composite materials remains a sizable challenge. While GR-polymer nanocomposites can be manufactured at large scale, processing limitations result in poor control over the homogeneity hydrophobic GR sheets matrices. Such processes often difficulties controlling stability and avoiding aggregation, therefore eliminating benefits that might have otherwise arisen from nanoscopic dimensions GR. Here, we report an exfoliated...