Siddharth Gautam
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View article: Addressing cases of Mass Conversion Disorder in schools of Western Nepal: A case series
Addressing cases of Mass Conversion Disorder in schools of Western Nepal: A case series Open
View article: Diffusion of C-O-H Fluids in a Sub-Nanometer Pore Network: Role of Pore Surface Area and Its Ratio with Pore Volume
Diffusion of C-O-H Fluids in a Sub-Nanometer Pore Network: Role of Pore Surface Area and Its Ratio with Pore Volume Open
Porous materials are characterized by the pore surface area (S) and volume (V) accessible to a confined fluid. For mesoporous materials NMR measurements of diffusion are used to assess the S/V ratio, because at short times, only the diffus…
View article: Innovation and Collaboration for Mental Health for All: A Brief Report on The First International Conference on Community Mental Health, Jumla, Nepal
Innovation and Collaboration for Mental Health for All: A Brief Report on The First International Conference on Community Mental Health, Jumla, Nepal Open
Background: Nepal faces significant disparities in mental health care, especially in rural areas like Karnali Province, which are often overlooked. The First International Conference on Community Mental Health, held in Jumla from May 4–5, …
View article: Mental health in the aftermath: supporting the 2024 flood and landslides affected communities in Nepal
Mental health in the aftermath: supporting the 2024 flood and landslides affected communities in Nepal Open
View article: An abelian formula for the quantum Weyl group action of the coroot lattice
An abelian formula for the quantum Weyl group action of the coroot lattice Open
Let g be a complex simple Lie algebra and Uq(Lg) its quantum loop algebra, where q is not a root of unity. We give an explicit formula for the quantum Weyl group action of the coroot lattice Q of g on finite-dimensional representations of …
View article: Behavior of water and aqueous LiCl solutions confined in cylindrical silica pores: A wide temperature range molecular dynamics simulation study
Behavior of water and aqueous LiCl solutions confined in cylindrical silica pores: A wide temperature range molecular dynamics simulation study Open
We report here a molecular dynamics simulation study on water and aqueous LiCl solutions confined in 1.6 nm cylindrical pores of silica to investigate a dynamical cross-over, observed earlier experimentally, wherein LiCl slows down confine…
View article: Simulation of Hydrogen Adsorption in Hierarchical Silicalite: Role of Electrostatics and Surface Chemistry
Simulation of Hydrogen Adsorption in Hierarchical Silicalite: Role of Electrostatics and Surface Chemistry Open
Adsorption in nanoporous materials is one strategy that can be used to store hydrogen at conditions of temperature and pressure that are economically viable. Adsorption capacity of nanoporous materials depends on surface area which can be …
View article: Mixtures of Ethane with CO$_2$ and Water Simulated in ZSM-22: The Role of Polarity and Hydrogen Bonding
Mixtures of Ethane with CO$_2$ and Water Simulated in ZSM-22: The Role of Polarity and Hydrogen Bonding Open
Deciphering the interplay between confinement effects and intermolecular interactions in zeolites is crucial for understanding diverse diffusion behaviors of confined molecules. Recent studies explored the impact of water and CO$_2$ on hyd…
View article: Selective Adsorption, Structure and Dynamics of Co2 – Ch4 Mixture in Mg-Mof-74 and the Influence of Intercrystalline Orientational Disorder
Selective Adsorption, Structure and Dynamics of Co2 – Ch4 Mixture in Mg-Mof-74 and the Influence of Intercrystalline Orientational Disorder Open
View article: Selective Adsorption, Structure and Dynamics of Co2 – Ch4 Mixture in Mg-Mof-74 and the Influence of Intercrystalline Orientational Disorder
Selective Adsorption, Structure and Dynamics of Co2 – Ch4 Mixture in Mg-Mof-74 and the Influence of Intercrystalline Orientational Disorder Open
View article: Exclusive Detection of Divalent Zn²⁺, S²⁻, and Co₃²⁻ Ions by a Ph-Sensitive Chromofluorescent Schiff Base in Neutral Medium
Exclusive Detection of Divalent Zn²⁺, S²⁻, and Co₃²⁻ Ions by a Ph-Sensitive Chromofluorescent Schiff Base in Neutral Medium Open
View article: SO2 adsorption in ZSM-22: Role of orientational disorder in the adsorbent
SO2 adsorption in ZSM-22: Role of orientational disorder in the adsorbent Open
Here we report adsorption of SO2 – an industrially and environmentally important gas – in ZSM-22, a zeolite characterized by straight channel like pores. The simple pore geometry of ZSM-22 helps us make polycrystalline models of the adsorb…
View article: Eco-Friendly Synthesis of Tin Oxide Nanoparticles: A Novel Strategy for Managing Early Blight and Soft Rot in Tomato Crops
Eco-Friendly Synthesis of Tin Oxide Nanoparticles: A Novel Strategy for Managing Early Blight and Soft Rot in Tomato Crops Open
View article: Dynamics of ethane, CO2, water and binary mixtures of ethane with CO2 and water in ZSM-22
Dynamics of ethane, CO2, water and binary mixtures of ethane with CO2 and water in ZSM-22 Open
Molecular diffusion through nano-porous materials can differ from the bulk. In this work, we studied the diffusion of ethane, CO2, water and binary mixtures of ethane with CO2 and water confined in sub-nanometer channel-like pores of ZSM-2…
View article: Assessment of Students’ Attitude towards Mental Illness in Vellore City, South India
Assessment of Students’ Attitude towards Mental Illness in Vellore City, South India Open
Background: Mental illness is a major public health concern worldwide. Among college students, particularly those in rigorous academic programs such as engineering have increasingly reported stress, anxiety, and depression. Despite rising …
View article: Influence of orientational disorder in the adsorbent on the structure and dynamics of the adsorbate: MD simulations of SO2 in ZSM-22
Influence of orientational disorder in the adsorbent on the structure and dynamics of the adsorbate: MD simulations of SO2 in ZSM-22 Open
Structural and dynamical behavior of SO2 molecules within ZSM-22 is studied using molecular dynamics simulations, to understand the influence of orientational disorder (OD) and inter – crystalline spacing in ZSM-22 as a function of adsorba…
View article: Influence of orientational disorder in the adsorbent on the structure and dynamics of the adsorbate: MD simulations of SO$_2$ in ZSM-22
Influence of orientational disorder in the adsorbent on the structure and dynamics of the adsorbate: MD simulations of SO$_2$ in ZSM-22 Open
Structural and dynamical behavior of SO$_2$ molecules within ZSM22 is studied using MD simulations, to understand the influence of orientational disorder (OD) and intercrystalline spacing in ZSM22 as a function of adsorbate loading. Additi…
View article: Surface Interactions and Nanoconfinement of Methane and Methane plus CO2 Revealed by High-Pressure Magic Angle Spinning NMR Spectroscopy and Molecular Dynamics
Surface Interactions and Nanoconfinement of Methane and Methane plus CO2 Revealed by High-Pressure Magic Angle Spinning NMR Spectroscopy and Molecular Dynamics Open
This study explores the fundamental, molecular- to microscopic-level behavior of methane gas confined into nanoporous silica proxies with different pore diameters and surface-to-volume (S/V) ratios. Surfaces and pore walls of nanoporous si…
View article: Correlation between structure and dynamics of CO$_2$ confined in Mg-MOF-74 and the role of inter-crystalline space: A molecular dynamics simulation study
Correlation between structure and dynamics of CO$_2$ confined in Mg-MOF-74 and the role of inter-crystalline space: A molecular dynamics simulation study Open
Mg-MOF-74 is a metal-organic framework (MOF) that exhibits a high capacity for CO$_2$ adsorption. Given the importance of CO$_2$ confinement in Mg-MOF-74 for capture and storage applications, it is important to understand the structural an…
View article: Role of Orientational Disorder in ZSM-22 in the Adsorption of SO$_2$
Role of Orientational Disorder in ZSM-22 in the Adsorption of SO$_2$ Open
Computational studies addressing the adsorption of fluids in nano-porous materials mostly use ideal single crystal models of the adsorbent. While a few recent studies have tried to address the effects of inter-crystalline spacing on the ad…
View article: Molecular Structure of Adsorbed Water Phases in Silica Nanopores
Molecular Structure of Adsorbed Water Phases in Silica Nanopores Open
The adsorption of water vapor in silica nanopores with different pore morphologies and surface hydrophilicities was studied to quantify the densities and thicknesses of the water sorption layers and deduce their molecular structures. Water…
View article: Correlation between Structure and Dynamics of Co2 Confined in Mg-Mof-74 and the Role of Inter-Crystalline Space: A Molecular Dynamics Simulation Study
Correlation between Structure and Dynamics of Co2 Confined in Mg-Mof-74 and the Role of Inter-Crystalline Space: A Molecular Dynamics Simulation Study Open
View article: CO2 Adsorption in Metal-Organic Framework Mg-MOF-74: Effects of Inter-Crystalline Space
CO2 Adsorption in Metal-Organic Framework Mg-MOF-74: Effects of Inter-Crystalline Space Open
Metal-Organic Frameworks (MOF) have been identified as highly efficient nanoporous adsorbents for CO2 storage. In particular, Mg-MOF-74 has been shown to promise exceptionally high CO2 sorption. Although several studies have reported adsor…
View article: Adsorption of Water in Silica Nanopores: Impacts of Surface Hydrophilicity and Pore Size
Adsorption of Water in Silica Nanopores: Impacts of Surface Hydrophilicity and Pore Size Open
View article: Effects of Confinement and Pressure on the Vibrational Behavior of Nano-Confined Propane
Effects of Confinement and Pressure on the Vibrational Behavior of Nano-Confined Propane Open
Fluids confined in nanopores exhibit significant deviations in their structure and dynamics from the bulk behavior. Although phase, structural, and diffusive behaviors of confined fluids have been investigated and reported extensively, con…
View article: Effect of molecular shape on rotation under severe confinement
Effect of molecular shape on rotation under severe confinement Open
View article: Molecular dynamics simulation study of meso-confined propane in TiO2
Molecular dynamics simulation study of meso-confined propane in TiO2 Open
View article: Dynamics of Propane in Nanoporous Silica Aerogel: A Quasielastic Neutron Scattering Study
Dynamics of Propane in Nanoporous Silica Aerogel: A Quasielastic Neutron Scattering Study Open
Molecular motion of hydrocarbons under confinement exhibits several peculiarities and has important implications in industries like gas recovery. A quasielastic neutron scattering (QENS) study of the dynamics of propane in nanoporous silic…