activity
20172022
most citedElectrostatic and induction effects in the solubility of water in alkanes

9 citations · 25 across the 8 of their papers we have counts for

collaborators

10 papers

physics.chem-ph2022

Effect of Nano-Confinement on NMR Relaxation of Heptane in Kerogen from MD Simulations and Measurements

Arjun Valiya Parambathu, Walter G. Chapman, George J. Hirasaki +2

Kerogen-rich shale reservoirs will play a key role during the energy transition, yet the effects of nano-confinement on the NMR relaxation of hydrocarbons in kerogen are poorly und…

physics.chem-ph2021

Molecular dynamics simulations of H NMR relaxation in Gd--aqua

Philip M. Singer, Arjun Valiya Parambathu, Thiago J. Pinheiro dos Santos +5

Atomistic molecular dynamics simulations are used to investigate H NMR relaxation of water from paramagnetic Gd ions in solution at 25C. Simulations of t…

physics.chem-ph2020

H-NMR Dipole-Dipole Relaxation in Fluids: Relaxation of Individual H-H Pairs versus Relaxation of Molecular Modes

D. Asthagiri, Walter G. Chapman, George J. Hirasaki +1

The intra-molecular H-NMR dipole-dipole relaxation of molecular fluids has traditionally been interpreted within the Bloembergen-Purcell-Pound (BPP) theory of NMR intra-molecul…

physics.chem-ph2020

Elucidating the H NMR relaxation mechanism in polydisperse polymers and bitumen using measurements, MD simulations, and models

Philip M. Singer, Arjun Valiya Parambathu, Xinglin Wang +4

The mechanism behind the H NMR frequency dependence of and the viscosity dependence of for polydisperse polymers and bitumen remains elusive. We elucidate the matte…

physics.chem-ph2020

Molecular Dynamics Simulations of NMR Relaxation and Diffusion of Heptane Confined in a Polymer Matrix

Arjun Valiya Parambathu, Philip M. Singer, George J. Hirasaki +2

The mechanism behind the NMR surface relaxation and the large / ratio of light hydrocarbons confined in the nano-pores of kerogen remains poorly understood, and consequen…

physics.chem-ph2019

An Efficient Algorithm for Interfacial Statistical Associating Fluid (iSAFT) in Cylindrical Geometry

Shun Xi, Jinlu Liu, Arjun Valiya Parambathu +2

In this work we present an efficient numerical algorithm for the solution of interfacial statistical associating fluid theory (iSAFT) in cylindrical geometry to facilitate the stud…