Quasielastic Neutron Scattering and Molecular Dynamics Simulation Study on the Structure Factor of Poly(ethylene-alt-propylene)

2009 ◽  
Vol 42 (21) ◽  
pp. 8271-8285 ◽  
Author(s):  
R. Pérez-Aparicio ◽  
A. Arbe ◽  
F. Alvarez ◽  
J. Colmenero ◽  
L. Willner
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Neutron Scattering ◽  
Simulation Study ◽  
Structure Factor ◽  
Dynamics Simulation ◽  
Quasielastic Neutron ◽  
Quasielastic Neutron Scattering ◽  
Poly Ethylene

scholarly journals Methanol diffusion in zeolite HY: a combined quasielastic neutron scattering and molecular dynamics simulation study

2016 ◽  
Vol 18 (26) ◽  
pp. 17294-17302 ◽  
Author(s):  
Alexander J. O'Malley ◽  
Victoria García Sakai ◽  
Ian P. Silverwood ◽  
Nikolaos Dimitratos ◽  
Stewart F. Parker ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Neutron Scattering ◽  
Simulation Study ◽  
Md Simulations ◽  
Dynamics Simulation ◽  
Quasielastic Neutron ◽  
Quasielastic Neutron Scattering

The diffusion of methanol in zeolite HY is studied using tandem quasielastic neutron scattering (QENS) experiments and molecular dynamics (MD) simulations at 300–400 K.

scholarly journals Molecular behaviour of phenol in zeolite Beta catalysts as a function of acid site presence: a quasielastic neutron scattering and molecular dynamics simulation study

2019 ◽  
Vol 9 (23) ◽  
pp. 6700-6713 ◽  
Author(s):  
Carlos Hernandez-Tamargo ◽  
Alexander O'Malley ◽  
Ian P. Silverwood ◽  
Nora H. de Leeuw
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Acid Site ◽  
Dynamic Behaviour ◽  
Acid Sites ◽  
Zeolite Beta ◽  
Dynamics Simulation ◽  
Quasielastic Neutron ◽  
Quasielastic Neutron Scattering

The dynamic behaviour of phenol in zeolite Beta is strongly influenced by the presence of Brønsted acid sites.

scholarly journals Comparing ammonia diffusion in NH3-SCR zeolite catalysts: a quasielastic neutron scattering and molecular dynamics simulation study

2018 ◽  
Vol 20 (17) ◽  
pp. 11976-11986 ◽  
Author(s):  
A. J. O'Malley ◽  
M. Sarwar ◽  
J. Armstrong ◽  
C. R. A. Catlow ◽  
I. P. Silverwood ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Neutron Scattering ◽  
Zeolite Catalysts ◽  
Dynamics Simulation ◽  
Simulation Studies ◽  
Nh3 Scr ◽  
Small Pore ◽  
Quasielastic Neutron ◽  
Quasielastic Neutron Scattering

Neutron scattering and simulation studies reveal important consistencies and differences in ammonia mobility in small pore NH3-SCR zeolite catalysts.

Sign in / Sign up

Export Citation Format

Share Document