Search Results - "Kannam, Sridhar Kumar"
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Slip length of water on graphene: limitations of non-equilibrium molecular dynamics simulations
Published in The Journal of chemical physics (14-01-2012)“…Data for the flow rate of water in carbon nanopores is widely scattered, both in experiments and simulations. In this work, we aim at precisely quantifying the…”
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2
Fast transport of water in carbon nanotubes: a review of current accomplishments and challenges
Published in Molecular simulation (24-07-2021)“…The intriguing mass transport properties of carbon nanotubes (CNTs) have received widespread attention, especially the rapid transport of water through CNTs…”
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3
How fast does water flow in carbon nanotubes?
Published in The Journal of chemical physics (07-03-2013)“…The purpose of this paper is threefold. First, we review the existing literature on flow rates of water in carbon nanotubes. Data for the slip length which…”
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4
Effect of Hydrogen Bonds on the Dielectric Properties of Interfacial Water
Published in Langmuir (18-06-2019)“…The dielectric constant for water is reduced under confinement. Although this phenomenon is well known, the underlying physical mechanism for the reduction is…”
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5
Translational diffusion of proteins in nanochannels
Published in The Journal of chemical physics (07-02-2017)“…Hydrodynamic interactions play an important role in the transport of analytes through nanoscale devices. Of particular note is the role that no-slip boundary…”
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6
Efficiency of Electropumping in Nanochannels
Published in Nano letters (13-05-2020)“…Electropumping has been shown to be an effective means of inducing a net positive flow in fluids confined within planar nanochannels and carbon nanotubes. In…”
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7
Slip flow in graphene nanochannels
Published in The Journal of chemical physics (14-10-2011)“…We investigate the hydrodynamic boundary condition for simple nanofluidic systems such as argon and methane flowing in graphene nanochannels using equilibrium…”
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8
Slip of Alkanes Confined between Surfactant Monolayers Adsorbed on Solid Surfaces
Published in Langmuir (03-04-2018)“…The slip and friction behavior of n-hexadecane, confined between organic friction modifier surfactant films adsorbed on hematite surfaces, has been studied…”
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9
Effects of Confinement on the Dielectric Response of Water Extends up to Mesoscale Dimensions
Published in Langmuir (17-05-2016)“…The extent of confinement effects on water is not clear in the literature. While some properties are affected only within a few nanometers from the wall…”
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10
Strategies toward Enhanced Low-Pressure Volumetric Hydrogen Storage in Nanoporous Cryoadsorbents
Published in Langmuir (17-12-2013)“…The volumetric hydrogen capacity remains one of the most challenging criteria for on-board hydrogen storage system requirements. Here a new concept for…”
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11
Highly efficient water desalination through hourglass shaped carbon nanopores
Published in Desalination (01-06-2021)“…Biological nanopores such as aquaporins combine the opposing functions of high water permeation and total ion exclusion in part by the virtue of their…”
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12
Nanoconfinement Effects on the Kapitza Resistance at Water–CNT Interfaces
Published in Langmuir (23-02-2021)“…The Kapitza resistance (R k) at the water–carbon nanotube (CNT) interface, with water on the inside of the nanotube, was investigated using molecular dynamics…”
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13
Effects of Electrostatic Interactions on Kapitza Resistance in Hexagonal Boron Nitride–Water Interfaces
Published in Langmuir (26-07-2022)“…Electrostatic interactions in nanoscale systems can influence the heat transfer mechanism and interfacial properties. This study uses molecular dynamics…”
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14
Rotational Diffusion of Proteins in Nanochannels
Published in The journal of physical chemistry. B (13-06-2019)“…The rotational diffusion coefficient is an essential parameter in determining the mechanistic features of biomolecules in both crowded and confined…”
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15
Electropumping of Water in Functionalized Carbon Nanotubes Using Rotating Electric Fields
Published in Journal of physical chemistry. C (21-12-2017)“…The development of new methods for the effective pumping of water at the nanoscale is an important building block in the development of nanotechnologies due to…”
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16
Hydrogen bonds and twist in cellulose microfibrils
Published in Carbohydrate polymers (01-11-2017)“…•The role of intra chain hydrogen bonds on the twist of cellulose was studied.•Multiple methods are used to explore the role of particular hydrogen bonds.•No…”
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17
Tunable thermoelectric properties of SnS2 under high pressure at room temperature
Published in Physica. B, Condensed matter (01-03-2019)“…In this paper, we study the structural, electronic, vibrational, thermoelectric and elastic properties of tin disulfide (SnS2) using first principles density…”
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18
Inducing a Net Positive Flow of Water in Functionalized Concentric Carbon Nanotubes Using Rotating Electric Fields
Published in Langmuir (12-11-2019)“…Electropumping has shown great potential as an effective means of inducing a net positive flow of water in confined channels. In this paper we present the…”
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19
Dynamical Interactions of 5‑Fluorouracil Drug with Dendritic Peptide Vectors: The Impact of Dendrimer Generation, Charge, Counterions, and Structured Water
Published in The journal of physical chemistry. B (30-06-2016)“…Molecular dynamics simulations are utilized to investigate the interactions between the skin cancer drug 5-fluorouracil (5FU) and peptide-based dendritic…”
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20
Analytical Diffusion Mechanism (ADiM) model combining specular, Knudsen and surface diffusion
Published in Journal of membrane science (01-07-2015)“…We present a unified transport model that combines specular, Knudsen and surface diffusion mechanisms, termed the Analytical Diffusion Mechanism (ADiM) model…”
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