Effects of pore connectivity and tortuosity on the dynamics of fluids confined in sub-nanometer pores
Siddharth Gautam, David R. Cole
Abstract
, while its effects on the rotational and translational motion of ethane are less pronounced. The intermolecular vibrational modes of both fluids shift to higher energies with an increase in the number of tortuous pores. The results reported here provide a detailed molecular level understanding of the effects of pore connectivity on the dynamics of fluids and thus have implications for applications like fluid separation.
Topics & Concepts
TortuosityZigzagConfined spaceChemical physicsCharacterisation of pore space in soilIntermolecular forceMolecular dynamicsPorous mediumMaterials sciencePorosityRotation around a fixed axisNanotechnologyMoleculeChemistryPhysicsComputational chemistryComposite materialGeometryClassical mechanicsMathematicsOrganic chemistryMethane Hydrates and Related PhenomenaHydrocarbon exploration and reservoir analysisPhase Equilibria and Thermodynamics