All Stories

  1. Effect of the ratio of surface area to volume of the pores on diffusion of confined fluids

    Article • C – Journal of Carbon Research, August 2025, MDPI AG

    Siddharth Gautam

  2. Selective adsorption, structure and dynamics of CO2 – CH4 mixture in mg-MOF-74 and the influence of Intercrystalline disorder

    Article • Chemical Physics, February 2025, Elsevier

    Siddharth Gautam

  3. How do pore characteristics and cushion gases impact the adsorption of hydrogen in nanopores?

    Article • RSC Advances, January 2025, Royal Society of Chemistry

    Siddharth Gautam

  4. Dynamics of Water, CO₂, Ethane and Their Mixtures in ZSM-22 Zeolite: The Role of Polarity and Hydrogen Bonding

    Article • Physica Scripta, November 2024, Institute of Physics Publishing

    Siddharth Gautam

  5. Simulation of Hydrogen Adsorption in Hierarchical Silicalite: Role of Electrostatics and Surface Chemistry

    Article • ChemPhysChem, May 2024, Wiley

    Siddharth Gautam

  6. SO2 adsorption in ZSM-22: Role of orientational disorder in the adsorbent

    Article • January 2024, American Institute of Physics

    Siddharth Gautam

  7. Dynamics of ethane, CO2, water and binary mixtures of ethane with CO2 and water in ZSM-22

    Article • January 2024, American Institute of Physics

    Siddharth Gautam

  8. Ethane-CO2 Mixture Adsorption in Silicalite: Influence of Tortuosity and Connectivity of Pores on Selectivity

    Article • C – Journal of Carbon Research, December 2023, MDPI AG

    Siddharth Gautam

  9. Influence of orientational disorder in the adsorbent on the structure and dynamics of the adsorbate: MD simulations of SO2 in ZSM-22

    Article • Chemical Engineering Science, October 2023, Elsevier

    Siddharth Gautam

  10. Surface Interactions and Nanoconfinement of Methane and Methane plus CO2 Revealed by High-Pressure Magic Angle Spinning NMR Spectroscopy and Molecular Dynamics

    Article • Membranes, December 2022, MDPI AG

    Siddharth Gautam, Dr Salim Ok

  11. Correlation between structure and dynamics of CO2 confined in Mg-MOF-74 and the role of inter-crystalline space: A molecular dynamics simulation study

    Article • Applied Surface Science, November 2022, Elsevier

    Siddharth Gautam

  12. Role of orientational disorder in ZSM-22 in the adsorption of SO2

    Article • Molecular Physics, September 2022, Taylor & Francis

    Siddharth Gautam

  13. Molecular Structure of Adsorbed Water Phases in Silica Nanopores

    Article • The Journal of Physical Chemistry C, February 2022, American Chemical Society (ACS)

    Siddharth Gautam

  14. Effects of pore connectivity and tortuosity on the dynamics of fluids confined in sub-nanometer pores

    Article • Physical Chemistry Chemical Physics, January 2022, Royal Society of Chemistry

    Siddharth Gautam

  15. Dynamic odd–even effect in n-alkane systems: a molecular dynamics study

    Article • Physical Chemistry Chemical Physics, January 2022, Royal Society of Chemistry

    Siddharth Gautam

  16. Effects of Pore Connectivity on the Sorption of Fluids in Nanoporous Material: Ethane and CO2 Sorption in Silicalite

    Article • ChemEngineering, August 2021, MDPI AG

    Siddharth Gautam

  17. Effect of Pore Connectivity on the Behavior of Fluids Confined in Sub-Nanometer Pores: Ethane and CO2 Confined in ZSM-22

    Article • Membranes, February 2021, MDPI AG

    Siddharth Gautam

  18. CO2 Adsorption in Metal-Organic Framework Mg-MOF-74: Effects of Inter-Crystalline Space

    Article • Nanomaterials, November 2020, MDPI AG

    Siddharth Gautam

  19. Water Uptake by Silica Nanopores: Impacts of Surface Hydrophilicity and Pore Size

    Article • The Journal of Physical Chemistry C, June 2020, American Chemical Society (ACS)

    Siddharth Gautam

  20. Vibrational Behavior of Water Adsorbed on Forsterite (Mg2SiO4) Surface

    Article • ACS Earth and Space Chemistry, June 2020, American Chemical Society (ACS)

    Siddharth Gautam

  21. Structure and dynamics of ethane confined in silica nanopores in the presence of CO2

    Article • The Journal of Chemical Physics, February 2020, American Institute of Physics

    Siddharth Gautam

  22. Effects of inter-crystalline space on the adsorption of ethane and CO2 in silicalite: implications for enhanced adsorption

    Article • Physical Chemistry Chemical Physics, January 2020, Royal Society of Chemistry

    Siddharth Gautam

  23. Effect of water on the molecular motion of propane in 1.5 nm wide silica pores.

    Article • Physical Chemistry Chemical Physics, January 2019, Royal Society of Chemistry

    Siddharth Gautam

  24. Influence of molecular shape on self-diffusion under severe confinement: A molecular dynamics study

    Article • Chemical Physics, January 2019, Elsevier

    Siddharth Gautam

  25. Sorption, Structure and Dynamics of CO2 and Ethane in Silicalite at High Pressure: A Combined Monte Carlo and Molecular Dynamics Simulation Study

    Article • Molecules, December 2018, MDPI AG

    Siddharth Gautam

  26. Effects of Confinement and Pressure on the Vibrational Behavior of Nano-Confined Propane

    Article • The Journal of Physical Chemistry A, July 2018, American Chemical Society (ACS)

    Siddharth Gautam

  27. Effect of molecular shape on rotation under severe confinement

    Article • Chemical Engineering Science, April 2018, Elsevier

    Siddharth Gautam

  28. Structure and dynamics of water on the forsterite surface

    Article • Physical Chemistry Chemical Physics, January 2018, Royal Society of Chemistry

    Siddharth Gautam

  29. Propane–Water Mixtures Confined within Cylindrical Silica Nanopores: Structural and Dynamical Properties Probed by Molecular Dynamics

    Article • Langmuir, September 2017, American Chemical Society (ACS)

    Siddharth Gautam

  30. Structure and Dynamics of Confined C-O-H Fluids Relevant to the Subsurface: Application of Magnetic Resonance, Neutron Scattering, and Molecular Dynamics Simulations

    Article • Frontiers in Earth Science, June 2017, Frontiers

    Dr Salim Ok, Siddharth Gautam

  31. Comparison of experiments and computer simulations to understand molecular motion in nano-pores

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Siddharth Gautam

  32. Location dependent orientational structure and dynamics of ethane in ZSM5

    Article • Chemical Physics Letters, March 2016, Elsevier

    Siddharth Gautam

  33. Role of Confinement on Adsorption and Dynamics of Ethane and an Ethane–CO2 Mixture in Mesoporous CPG Silica

    Article • The Journal of Physical Chemistry C, February 2016, American Chemical Society (ACS)

    Siddharth Gautam

  34. Molecular dynamics simulation study of meso-confined propane in TiO2

    Article • Chemical Physics, September 2015, Elsevier

    Siddharth Gautam

  35. Dynamics of Propane in Nanoporous Silica Aerogel: A Quasielastic Neutron Scattering Study

    Article • The Journal of Physical Chemistry C, July 2015, American Chemical Society (ACS)

    Siddharth Gautam

  36. Effect of temperature and pressure on the dynamics of nanoconfined propane

    Article • January 2014, American Institute of Physics

    Siddharth Gautam

  37. Dynamical Properties of Plasticizer in Polyvinyl Acetate

    Article • January 2011, American Institute of Physics

    Siddharth Gautam

  38. Rotational dynamics of propylene in ZSM-5 zeolitic frameworks

    Article • Chemical Physics Letters, January 2011, Elsevier

    Siddharth Gautam

  39. Dynamics of Propylene adsorbed in Na-Y and Na-ZSM5 Zeolites: A QENS and MD Simulation Study

    Article • Zeitschrift für Physikalische Chemie, February 2010, De Gruyter

    Siddharth Gautam

  40. Monomer Dynamics in SDS Micellar Solution

    Article • Zeitschrift für Physikalische Chemie, February 2010, De Gruyter

    Siddharth Gautam

  41. Diffusion of water in nanoporous NF polyamide membrane

    Article • Chemical Physics Letters, August 2009, Elsevier

    Siddharth Gautam

  42. Dynamics of Adsorbed Hydrocarbon in Nanoporous Zeolite Framework

    Article • The Journal of Physical Chemistry B, June 2009, American Chemical Society (ACS)

    Siddharth Gautam

  43. Dynamics of water sorbed in reverse osmosis polyamide membrane

    Article • Journal of Membrane Science, January 2009, Elsevier

    Siddharth Gautam

  44. Diffusion of propylene adsorbed in Na-Y and Na-ZSM5 zeolites: Neutron scattering and FTIR studies

    Article • Pramana, November 2008, Springer Science + Business Media

    Siddharth Gautam

  45. Phase transitions in liquid crystal 6O.4 (p-n-hexyloxybenzylidine-p′-n-butylaniline)

    Article • Pramana, November 2008, Springer Science + Business Media

    Siddharth Gautam

  46. Rotational dynamics of propylene inside Na-Y zeolite cages

    Article • Pramana, November 2008, Springer Science + Business Media

    Siddharth Gautam

  47. Molecular motion in restricted geometries

    Article • Pramana, October 2008, Springer Science + Business Media

    Siddharth Gautam

  48. Dynamics of 1,3-butadiene adsorbed in Na-Y zeolite: A molecular dynamics simulation study

    Article • Physical Review E, June 2008, American Physical Society (APS)

    Siddharth Gautam

  49. Molecular reorientations in liquid crystal 6O.4

    Article • Chemical Physics Letters, March 2008, Elsevier

    Siddharth Gautam

  50. Diffusion of water adsorbed in hydrotalcite: neutron scattering Study

    Article • Journal of Physics Conference Series, December 2007, Institute of Physics Publishing

    Siddharth Gautam

  51. Diffusion of 1,3-butadiene adsorbed in Na–Y zeolite: Neutron scattering study

    Article • Chemical Physics Letters, July 2007, Elsevier

    Siddharth Gautam

  52. Diffusion of acetylene embedded in Na–Y zeolite: QENS and MD simulation studies

    Article • Physica B Condensed Matter, November 2006, Elsevier

    Siddharth Gautam

  53. Diffusion of acetylene insideNa−Yzeolite: Molecular dynamics simulation studies

    Article • Physical Review E, October 2006, American Physical Society (APS)

    Siddharth Gautam

  54. Dynamics of absorbed water in saponite clay: Neutron scattering study

    Article • Chemical Physics Letters, August 2006, Elsevier

    Siddharth Gautam