Nitesh Kumar

University of Utah | UOU · Department of Chemistry

Interfacial adsorbate organization influences a variety physicochemical properties and reactivity. Surfaces that are rough, defect laden, or have large fluctuations (as in soft matter interfaces) can lead to complex adsorbate structures. This is amplified if adsorbate-adsorbate interactions lead to self-assembly. Although image analysis algorithms...

Interfacial adsorbate organization influences a variety physicochemical properties and reactivity. Surfaces that are rough, defect laden, or have large fluctuations (as in soft matter interfaces), can lead to complex adsorbate structures. This is amplified if adsorbate-adsorbate interactions lead to self-assembly. Although image analysis algorithms...

Although community or cluster identification is becoming a standard tool within the simulation community, traditional algorithms are challenging to adapt to time-dependent data. Here, we introduce temporal community identification using the Δ-screening algorithm, which has the flexibility to account for varying community compositions, merging and s...

Although community or cluster identification is becoming a standard tool within the simulation community, traditional algorithms are challenging to adapt to time dependent data. Here we introduce temporal community identification using the delta-screening algorithm which has the flexibility to account for varying community compositions, merging and...

Real solutes are often highly influenced by the local, and sometimes extended, implicit and explicit interactions that they have with solvent. From a modeling and simulation perspective, solvent effects can be accounted in a number of different ways, each with their own bias toward the incorporation of correct physics. In turn, these methods influe...

Liquid/liquid extraction is one of the most widely used separation and purification methods{,} where a forefront of research is the study of transport mechanisms for solute partitioning and the relationships that these have to solution structure at the phase boundary. To date{,} organized surface features that include protrusions{,} water-fingers{,...

Uranyl (UO 22+) speciation at the liquid/liquid interface is an essential aspect of the mechanism that underlies its extraction as part of spent nuclear fuel reprocessing schemes and environmental remediation of contaminated legacy waste sites. Of particular importance is a detailed perspective of how changing ion concentrations at the liquid inter...

Liquid/liquid extraction is one of the most widely used separation and purification methods, where a forefront of research is the study of transport mechanisms for solute partitioning and the relationships that these have to solution structure at the phase boundary. To date, organized surface features that include protrusions, water-fingers, and mo...

Liquid/liquid extraction is one of the most widely used separation and purification methods, where a forefront of research is the study of transport mechanisms for solute partitioning and the relationships that these have to solution structure at the phase boundary. To date, organized surface features that include protrusions, water-fingers, and mo...

p>Uranyl (UO22+) speciation at the liquid/liquid interface is an essential aspect of the mechanism that underlies its extraction as part of spent nuclear fuel reprocessing schemes and environmental remediation of contaminated legacy waste sites. Of particular importance is a detailed perspective of how changing ion concentrations at the liquid inte...

Much is understood about electrolyte liquid/liquid interfaces, yet the relationships between ion solvation, adsorption, and the instantaneous surface have not been the topic of significant study. The thermally corrugated capillary wave characteristics of the instantaneous aqueous surface contribute to heterogeneous interfacial structural and dynami...

p>Much is understood about electrolyte liquid/liquid interfaces, yet the relationships between ion solvation, adsorption, and the instantaneous surface have not been the topic of signicant study. The thermally corrugated capillary wave characteristics of the instantaneous aqueous surface contribute to heterogeneous interfacial structural and dynami...