Kevin R. Hinkle
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View article: Optimizing Molecular Simulations of Reverse Osmosis Based Concentration Processes Using Molecular Replication
Optimizing Molecular Simulations of Reverse Osmosis Based Concentration Processes Using Molecular Replication Open
View article: Model for the Prediction of Performance Behavior of a Solid Oxide Electrolyte Fuel Cell
Model for the Prediction of Performance Behavior of a Solid Oxide Electrolyte Fuel Cell Open
The fundamental principles of thermodynamics, electrochemistry, transport phenomena, and chemical engineering science have been used to assemble and develop the formulation presented in this article. The formulation can be employed to pred…
View article: A High Temperature Lithium-Oxygen/Air Fuel Cell Formulation
A High Temperature Lithium-Oxygen/Air Fuel Cell Formulation Open
The formulation presented in this paper has been developed for the design and performance analysis of a high temperature lithium/oxygen or air fuel cell. The formulation predicts the cell open-circuit voltage (EMF), thermodynamic efficienc…
View article: High Temperature Solid Oxide Electrolyte Fuel Cell Formulation: Non-Steady State Utilization of Fuel and Oxidant
High Temperature Solid Oxide Electrolyte Fuel Cell Formulation: Non-Steady State Utilization of Fuel and Oxidant Open
The formulation presented in this paper was developed with the objective of its application to investigate the transient behavior of a high temperature solid oxide fuel cell (SOFC); especially with respect to the non-steady state consumpti…
View article: Formulation of an Ideal Solid Oxide Fuel Cell
Formulation of an Ideal Solid Oxide Fuel Cell Open
Principles of transport phenomena and chemical/ electrochemical reaction kinetics were employed to develop the formulation for the prediction of fuel (e.g., ) and oxidant (e.g., ) mole fraction profiles in the porous anode and cathode elec…
View article: Highly‐Selective Harvesting of (6,4) SWCNTs Using the Aqueous Two‐Phase Extraction Method and Nonionic Surfactants
Highly‐Selective Harvesting of (6,4) SWCNTs Using the Aqueous Two‐Phase Extraction Method and Nonionic Surfactants Open
Monochiral single‐walled carbon nanotubes (SWCNTs) are indispensable for advancing the technology readiness level of nanocarbon‐based concepts. In recent times, many separation techniques have been developed to obtain specific SWCNTs from …
View article: AlphaFold2 models indicate that protein sequence determines both structure and dynamics
AlphaFold2 models indicate that protein sequence determines both structure and dynamics Open
AlphaFold 2 (AF2) has placed Molecular Biology in a new era where we can visualize, analyze and interpret the structures and functions of all proteins solely from their primary sequences. We performed AF2 structure predictions for various …
View article: AlphaFold2 models indicate that protein sequence determines both structure and dynamics
AlphaFold2 models indicate that protein sequence determines both structure and dynamics Open
AlphaFold 2 (AF2) has placed Molecular Biology in a new era where we can visualize, analyze and interpret the structures and functions of all proteins solely from their primary sequences. We performed AF2 structure predictions for various …
View article: Solvation Free Energy of Self-Assembled Complexes: Using Molecular Dynamics to Understand the Separation of ssDNA-Wrapped Single-Walled Carbon Nanotubes
Solvation Free Energy of Self-Assembled Complexes: Using Molecular Dynamics to Understand the Separation of ssDNA-Wrapped Single-Walled Carbon Nanotubes Open
Molecular dynamics simulations were used to characterize the self-assembly of single-stranded DNA (ssDNA) on a (6,5) single-walled carbon nanotube (SWCNT) in aqueous solution for the purpose of gaining an improved theoretical understanding…
View article: Transport of Fluids in Nanoporous Materials
Transport of Fluids in Nanoporous Materials Open
Fluid transport in narrow pores is central to the design and optimization of nanoporous materials in industrial applications, such as catalysis, nanofluids, electrochemical batteries, and membrane separation. However, due to the strong pot…
View article: Computational Molecular Modeling of Transport Processes in Nanoporous Membranes
Computational Molecular Modeling of Transport Processes in Nanoporous Membranes Open
In this report we have discussed the important role of molecular modeling, especially the use of the molecular dynamics method, in investigating transport processes in nanoporous materials such as membranes. With the availability of high p…
View article: Computational Molecular Modeling of Transport Processes in Nanoporous Membranes
Computational Molecular Modeling of Transport Processes in Nanoporous Membranes Open
In this report we have discussed the important role of molecular modeling, especially the use of the molecular dynamics method, in investigating transport processes in nanoporous materials such as membranes. With the availability of high p…
View article: Solvation of Carbon Nanoparticles in Water/Alcohol Mixtures: Using Molecular Simulation To Probe Energetics, Structure, and Dynamics
Solvation of Carbon Nanoparticles in Water/Alcohol Mixtures: Using Molecular Simulation To Probe Energetics, Structure, and Dynamics Open
Molecular dynamics simulations were used to examine the solvation behavior of buckminsterfullerene and single-walled carbon nanotubes (SWCNT) in a range of water/alcohol solvent compositions at 1 atm and 300 K. Results indicate that the al…
View article: A Study of Fluid-Membrane Transport Processes and Their Applications: A Molecular Dynamics Approach
A Study of Fluid-Membrane Transport Processes and Their Applications: A Molecular Dynamics Approach Open
Selectively permeable membranes perform important roles in a wide range of systems including naturally occurring lipid membranes in biological systems to engineered polymeric membranes in filtration and energy technologies. In order to des…