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Biochars have been attracting renewed attention as economical and environmentally friendly carbon sequestration materials with a diverse range of applications. However, experimental developments may be limited by the lack of molecular-level…
Electropolymerization plays a critical role in the electrochemical systems. In this chapter, we address such role within the context of interplay between kinetics and energetics. The trains of chin radical reactions leads to the formation…
The physico-chemistry of surfactants (amphiphilic surface active agents) is often used to control the dynamics of viscous drops and bubbles. Surfactant sorption kinetics has been shown to play a critical role in the deformation of drops in…
Salicylic acid (SA) is a primary phytohormone released in response to stress, particularly biotic infections in plants. Monitoring SA levels may provide a way for early disease detection in crops providing a way for applying effective…
Microcapsules are a key class of microscale materials with applications in areas ranging from personal care to biomedicine, and with increasing potential to act as extracellular matrix (ECM) models of hollow organs or tissues. Such capsules…
Senior dialkyl sulfoxides constitute interest in the context of biomedical sciences due to their abilities to penetrate phospholipid bilayers, dissolve drugs, and serve as cryoprotectants. Intermolecular interactions with water, a paramount…
Fitting the spectral energy distributions (SEDs) of galaxies is an almost universally used technique that has matured significantly in the last decade. Model predictions and fitting procedures have improved significantly over this time,…
Chemical selectivity is a phenomenon displayed by potential energy surfaces (PES) that is relevant for many organic chemical reactions whose PES feature a valley-ridge inflection point (VRI) in the region between two sequential index-1…
Solid-state electrolytes (SSE) with high ion conductivity are pivotal for the development and large-scale adoption of green-energy conversion and storage technologies such as fuel cells, electrocatalysts and solid-state batteries. Yet, SSE…
Surface nanobubbles (NBs) are stable gaseous phases in liquids that form at the interface with solid substrates. They have been particularly intriguing for their high stability that contradicts theoretical expectations and their potential…
Design and optimization of higher efficiency, lower-emission internal combustion engines are highly dependent on fuel chemistry. Resolving chemistry for complex fuels, like gasoline, is challenging. A solution is to study a fuel surrogate:…
From soap-covered dishes to freshly cleaned floors, surfactants can make surfaces slippery; yet, the underlying mechanism remains poorly understood. Here, we identify the molecular origin behind this ubiquitous phenomenon using macroscopic…
Surfactants have been widely studied and used in controlling droplet evaporation. In this work, we observe and study the crystallization of sodium dodecyl sulfate (SDS) within an evaporating glycerol-water mixture droplet. The…
Binding energies (BEs) are one of the most important parameters for astrochemical modeling determining, because they govern whether a species stays in the gas-phase or is frozen on the grain surfaces. It is currently known that, in the…
The self assembly of linear surfactants into reverse micelles (RMs) in nonpolar solvents and their efficiency in reducing the interfacial tension is studied using dissipative particle dynamics simulations. Given the importance of RMs as…
Electrophoretic separations of proteins are widely used in proteomic analyses, and rely heavily on SDS electrophoresis. This mode of separation is almost exclusively used when a single dimension separation is performed, and generally…
This paper presents a new finite element (FE) formulation for liquid shells that is based on an explicit, 3D surface discretization using $C^1$-continuous finite elements constructed from NURBS interpolation. Both displacement-based and…
Superhydrophobic surfaces (SHSs) have the potential to achieve large drag reduction for internal and external flow applications. However, experiments have shown inconsistent results, with many studies reporting significantly reduced…
The term pristine interface was introduced by Beattie and Djerdjev 20 years ago for emulsions that consist of only water and oil with no surfactant. They are different from Pickering emulsions, which are also surfactant-free but stabilized…
Soft solids and their surface deformations control the response of many natural and artificial systems. Yet, their underlying properties are vigorously debated, particularly for polymer networks. While molecular-scale theories predict no…