Search Results - "Hinkle, Kevin R"
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Highly‐Selective Harvesting of (6,4) SWCNTs Using the Aqueous Two‐Phase Extraction Method and Nonionic Surfactants
Published in Advanced science (01-05-2023)“…Monochiral single‐walled carbon nanotubes (SWCNTs) are indispensable for advancing the technology readiness level of nanocarbon‐based concepts. In recent…”
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Single-Walled Zeolitic Nanotubes Reject Diffusive Permeation of Aqueous NaCl
Published in Journal of physical chemistry. C (21-04-2022)“…This work reports the first-ever simulations of newly synthesized single-walled zeolitic nanotubes (SWZNTs) in aqueous NaCl solution. The interfacial behavior…”
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Molecular dynamics simulations reveal single-stranded DNA (ssDNA) forms ordered structures upon adsorbing onto single-walled carbon nanotubes (SWCNT)
Published in Colloids and surfaces, B, Biointerfaces (01-04-2022)“…Replica exchange molecular dynamics were used to observe the adsorption of single-stranded DNA (ssDNA) onto the surface of single-walled carbon nanotubes…”
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4
Using coarse-grained models to examine structure-property relationships of diblock-arm star polymers
Published in European polymer journal (05-01-2021)“…[Display omitted] •Coarse-grained model of star polymers is shown to agree with atomistic simulations.•Structure-property relationships for various…”
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Interaction of DNA-Complexed Boron Nitride Nanotubes and Cosolvents Impacts Dispersion and Length Characteristics
Published in Langmuir (21-09-2021)“…Processing boron nitride nanotubes (BNNTs) for applications ranging from nanomedicine to electronics generally requires dispersions of nanotubes that are…”
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Solvation Free Energy of Self-Assembled Complexes: Using Molecular Dynamics to Understand the Separation of ssDNA-Wrapped Single-Walled Carbon Nanotubes
Published in Journal of physical chemistry. C (18-06-2020)“…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…”
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Solvation of Carbon Nanoparticles in Water/Alcohol Mixtures: Using Molecular Simulation To Probe Energetics, Structure, and Dynamics
Published in Journal of physical chemistry. C (19-10-2017)“…Molecular dynamics simulations were used to examine the solvation behavior of buckminsterfullerene and single-walled carbon nanotubes (SWCNT) in a range of…”
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Transport of Vanadium and Oxovanadium Ions Across Zeolite Membranes: A Molecular Dynamics Study
Published in Journal of physical chemistry. C (16-10-2014)“…Redox flow batteries (RFBs) have become an attractive form of energy storage because of their safety, capacity, and small environmental footprint; however,…”
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Using Molecular Simulations To Develop Reliable Design Tools and Correlations for Engineering Applications of Aqueous Electrolyte Solutions
Published in Journal of chemical and engineering data (14-04-2016)“…Many industrial processes involve processing aqueous electrolyte solutions. There is thus a need for accurate theories to predict their thermophysical…”
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Zeolite membranes for ion separations from aqueous solutions
Published in Current opinion in chemical engineering (01-05-2015)“…•We review recent studies on zeolite membranes as a new type of ion separator.•Zeolite membranes are capable of purifying water from salt solutions by…”
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Evaluation and extrapolation of the solubility of H2 and CO in n-alkanes and n-alcohols using molecular simulation
Published in Fluid phase equilibria (01-12-2014)“…We have improved the estimation of the solubility of hydrogen and carbon monoxide in a range of linear alcohols and alkanes (between C4 and C32) by using the…”
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Using Molecular Simulations to Facilitate Design and Operation of Membrane-Based and Chiral Separation Processes
Published in Industrial & engineering chemistry research (26-10-2022)“…We provide a review of the contributions of molecular dynamics simulations to advance the fundamental understanding of factors that influence a wide range of…”
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Unexpected high CO2 over C2H2 separation performance by high-silica CHA zeolite membranes
Published in Journal of membrane science (05-10-2023)“…Energy-efficient CO2/C2H2 separation by membranes is critical for producing acetylene by partial combustion of natural gas. Separating CO2 and C2H2 by…”
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A Study of Fluid-Membrane Transport Processes and Their Applications: A Molecular Dynamics Approach
Published 01-01-2016“…Selectively permeable membranes perform important roles in a wide range of systems including naturally occurring lipid membranes in biological systems to…”
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