Influence of Isotherm Inflection on the Loading Dependence of the Diffusivities of n-Hexane and n-Heptane in MFI Zeolite. Quasi-Elastic Neutron Scattering Experiments Supplemented by Molecular Simulations [PDF]
, 2006 Quasi-Elastic Neutron Scattering (QENS) experiments were carried out to determine (a) Fick diffusivity, D (b) self-diffusivity, Dself, and (c) 1/Γ, the inverse of the thermodynamic correction factor, for n-hexane (nC6) and n-heptane (nC7) in MFI zeolite (
Jobic, H. +5 more
core +1 more source
Temperature dependence of the segmental dynamics in polyisobutylene melts [PDF]
, 2002 We report a study of the local dynamics in polyisobutylene (PIB) melts using quasi-elastic neutron scattering (QENS). QENS measurements were carried out on the high resolution back-scattering spectrometer IRIS (ISIS) in the temperature range 300-460 K ...
Qian H +5 more
core +1 more source
Diffusion of propane in zeolite NaY: a molecular dynamics and quasi-elastic neutron scattering study [PDF]
, 2003 We report results from molecular dynamics (MD) simulations and quasi-elastic neutron scattering (QENS) measurements of the diffusion of propane in NaY zeolite at temperatures of 300, 324, and 350 K and a loading of 4 molecules per α-cage.
Mitra, S. +5 more
core +1 more source
Analysis of dislocation pipe diffusion in deformed alpha-phase PdHX using a synthesized QENS approach [PDF]
, 2017 Using quasielastic neutron scattering results from multiple spectrometers, material considerations are made for annealed and deformed PdH_x with sufficiently low [H] as to encourage the process of dislocation pipe diffusion (DPD) below a critical ...
Serio, Joseph Anthony
core
Diffusion Behavior of Methanol Molecules Confined in Cross-Linked Phenolic Resins Studied Using Neutron Scattering and Molecular Dynamics Simulations [PDF]
, 2018 The dynamics of methanol confined in highly cross-linked phenolic resins was investigated using incoherent quasielastic neutron scattering (QENS) and atomistic molecular dynamics (MD) simulations.
Katsumi Hagita (5619908) +5 more
core +1 more source
Local dynamics of atactic polyproplene across the glass transition [PDF]
, 2001 We report a dynamic investigation of the molecular processes in atactic polypropylene using quasi-elastic neutron scattering (QENS). This polymer was investigated over a wide temperature range across the glass transition temperature, Tg, using various ...
Lechner, R E +14 more
core +1 more source
Molecular-Dynamics Simulation of Self-Diffusion of Molecular Hydrogen in X-Type Zeolite
Journal of Chemistry, 2013 The self-diffusion of hydrogen in NaX zeolite has been studied by molecular-dynamics simulations for various temperatures and pressures. The results indicate that in the temperature range of 77–293 K and the pressure range of 10–2700 kPa, the self ...
Xiaoming Du
doaj +1 more source
Segmental dynamics in polymer electrolytes [PDF]
, 2002 Polymer dynamics in poly(ethylene oxide) (PEO)-salt mixtures is investigated by means of quasi-elastic neutron scattering (QENS). In a previous study, we reported QENS data from the NEAT spectrometer (BENSC) that evidenced, for the first time, a dynamic ...
Lechner, R.E. +8 more
core +1 more source
Journal of Chemistry, 2017 The microscopic dynamics for the gel and liquid-crystalline phase of highly aligned D2O-hydrated bilayers of 1-palmitoyl-oleoyl-sn-glycero-phosphocholine (POPC) were investigated in the temperature range from 248 to 273 K by using incoherent quasi ...
U. Wanderlingh +7 more
doaj +1 more source
Origin of dielectric relaxor behavior in PVDF-based copolymer and terpolymer films
AIP Advances, 2018 Relaxor ferroelectrics exhibit frequency-dispersion of their dielectric permittivity peak as a function of temperature, the origin of which has been widely debated. Microscopic understanding of such behavior for polymeric ferroelectrics has presented new
Abhijit Pramanick +8 more
doaj +1 more source