Quasielastic neutron scattering study of the dynamics of 1,3-diphenylpropane grafted to the pore surface of MCM-41

Michelle K Kidder; A C Buchanan; Phillip F Britt; Alan Loyd Chaffee

Quasielastic neutron scattering study of the dynamics of 1,3-diphenylpropane grafted to the pore surface of MCM-41

Michelle K Kidder
, A C Buchanan
, Phillip F Britt
, Alan Loyd Chaffee

School of Chemistry

Research output: Contribution to conference › Abstract

Abstract

An initial study of the dynamics of 1,3-diphenylpropane (DPP, ≡Si-O-C6H4(CH2)3C6H5) attached to the surface of the mesoporous silica MCM-41 has been carried out using quasielastic neutron scattering. Measurements of the elastic intensity were carried out in the temperature range 50-380 K and indicate a trend in DPP dynamics with changing grafting density and pore size. Full quasielastic scans over an energy range of ± 17 μeV were carried out at temperatures of 240 K, 280 K, and 320 K. Initial analysis employed a stretched exponential to model the Fourier transformed data in the time domain. An average relaxation time, defined as <τ> = (τ/β)Γ(1/β) where β is the stretched exponent in the model, shows a dependence on temperature, pore size, and DPP grafting density. Molecular dynamics simulations using a model for DPP grafted onto the surface of MCM-41 was compared with the experimental results.

Original language	English
Pages	225
Number of pages	1
Publication status	Published - 2006
Event	Annual March Meeting of the American Physical Society 2006 - Baltimore, United States of America Duration: 13 Mar 2006 → 17 Mar 2006

Conference

Conference	Annual March Meeting of the American Physical Society 2006
Country/Territory	United States of America
City	Baltimore
Period	13/03/06 → 17/03/06

Access to Document

http://meetings.aps.org/link/BAPS.2006.MAR.H13.6

Cite this

@conference{3fcb875c21734cde9112ce3191a379d5,

title = "Quasielastic neutron scattering study of the dynamics of 1,3-diphenylpropane grafted to the pore surface of MCM-41",

abstract = "An initial study of the dynamics of 1,3-diphenylpropane (DPP, ≡Si-O-C6H4(CH2)3C6H5) attached to the surface of the mesoporous silica MCM-41 has been carried out using quasielastic neutron scattering. Measurements of the elastic intensity were carried out in the temperature range 50-380 K and indicate a trend in DPP dynamics with changing grafting density and pore size. Full quasielastic scans over an energy range of ± 17 μeV were carried out at temperatures of 240 K, 280 K, and 320 K. Initial analysis employed a stretched exponential to model the Fourier transformed data in the time domain. An average relaxation time, defined as <τ> = (τ/β)Γ(1/β) where β is the stretched exponent in the model, shows a dependence on temperature, pore size, and DPP grafting density. Molecular dynamics simulations using a model for DPP grafted onto the surface of MCM-41 was compared with the experimental results.",

author = "Kidder, \{Michelle K\} and Buchanan, \{A C\} and Britt, \{Phillip F\} and Chaffee, \{Alan Loyd\}",

year = "2006",

language = "English",

pages = "225",

note = "Annual March Meeting of the American Physical Society 2006 ; Conference date: 13-03-2006 Through 17-03-2006",

}

TY - CONF

T1 - Quasielastic neutron scattering study of the dynamics of 1,3-diphenylpropane grafted to the pore surface of MCM-41

AU - Kidder, Michelle K

AU - Buchanan, A C

AU - Britt, Phillip F

AU - Chaffee, Alan Loyd

PY - 2006

Y1 - 2006

N2 - An initial study of the dynamics of 1,3-diphenylpropane (DPP, ≡Si-O-C6H4(CH2)3C6H5) attached to the surface of the mesoporous silica MCM-41 has been carried out using quasielastic neutron scattering. Measurements of the elastic intensity were carried out in the temperature range 50-380 K and indicate a trend in DPP dynamics with changing grafting density and pore size. Full quasielastic scans over an energy range of ± 17 μeV were carried out at temperatures of 240 K, 280 K, and 320 K. Initial analysis employed a stretched exponential to model the Fourier transformed data in the time domain. An average relaxation time, defined as <τ> = (τ/β)Γ(1/β) where β is the stretched exponent in the model, shows a dependence on temperature, pore size, and DPP grafting density. Molecular dynamics simulations using a model for DPP grafted onto the surface of MCM-41 was compared with the experimental results.

AB - An initial study of the dynamics of 1,3-diphenylpropane (DPP, ≡Si-O-C6H4(CH2)3C6H5) attached to the surface of the mesoporous silica MCM-41 has been carried out using quasielastic neutron scattering. Measurements of the elastic intensity were carried out in the temperature range 50-380 K and indicate a trend in DPP dynamics with changing grafting density and pore size. Full quasielastic scans over an energy range of ± 17 μeV were carried out at temperatures of 240 K, 280 K, and 320 K. Initial analysis employed a stretched exponential to model the Fourier transformed data in the time domain. An average relaxation time, defined as <τ> = (τ/β)Γ(1/β) where β is the stretched exponent in the model, shows a dependence on temperature, pore size, and DPP grafting density. Molecular dynamics simulations using a model for DPP grafted onto the surface of MCM-41 was compared with the experimental results.

M3 - Abstract

SP - 225

T2 - Annual March Meeting of the American Physical Society 2006

Y2 - 13 March 2006 through 17 March 2006

ER -