skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Dynamics in the Plastic Crystalline Phases of Cyclohexanol and Cyclooctanol Studied by Quasielastic Neutron Scattering

Abstract

Plastic crystals are a promising candidate for solid state ionic conductors. In this work, quasielastic neutron scattering is employed to investigate the center of mass diffusive motions in two types of plastic crystalline cyclic alcohols: cyclohexanol and cyclooctanol. Two separate motions are observed which are attributed to long-range translational diffusion (α-process) and cage rattling (fast β-process). Residence times and diffusion coefficients are calculated for both processes, along with the confinement distances for the cage rattling. In addition, a binary mixture of these two materials is measured to understand how the dynamics change when a second type of molecule is added to the matrix. Furthermore, it is observed that, upon the addition of the larger cyclooctanol molecules into the cyclohexanol solution, the cage size decreases, which causes a decrease in the observed diffusion rates for both the α- and fast β-processes.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [5];  [6];  [5]
  1. Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Forschungszentrum Jülich GmbH, Jülich (Germany)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Forschungszentrum Jülich GmbH, Jülich (Germany)
  3. Louisiana State Univ., Baton Rouge, LA (United States)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
  5. Forschungszentrum Jülich GmbH, Jülich (Germany)
  6. Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1526395
Grant/Contract Number:  
[AC05-00OR22725]
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry
Additional Journal Information:
[ Journal Volume: 122; Journal Issue: 23]; Journal ID: ISSN 1520-6106
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Novak, Eric C., Jalarvo, Niina H., Gupta, Sudipta, Hong, Kunlun, Förster, Stephan, Egami, Takeshi, and Ohl, M. Dynamics in the Plastic Crystalline Phases of Cyclohexanol and Cyclooctanol Studied by Quasielastic Neutron Scattering. United States: N. p., 2018. Web. doi:10.1021/acs.jpcb.8b03448.
Novak, Eric C., Jalarvo, Niina H., Gupta, Sudipta, Hong, Kunlun, Förster, Stephan, Egami, Takeshi, & Ohl, M. Dynamics in the Plastic Crystalline Phases of Cyclohexanol and Cyclooctanol Studied by Quasielastic Neutron Scattering. United States. doi:10.1021/acs.jpcb.8b03448.
Novak, Eric C., Jalarvo, Niina H., Gupta, Sudipta, Hong, Kunlun, Förster, Stephan, Egami, Takeshi, and Ohl, M. Fri . "Dynamics in the Plastic Crystalline Phases of Cyclohexanol and Cyclooctanol Studied by Quasielastic Neutron Scattering". United States. doi:10.1021/acs.jpcb.8b03448. https://www.osti.gov/servlets/purl/1526395.
@article{osti_1526395,
title = {Dynamics in the Plastic Crystalline Phases of Cyclohexanol and Cyclooctanol Studied by Quasielastic Neutron Scattering},
author = {Novak, Eric C. and Jalarvo, Niina H. and Gupta, Sudipta and Hong, Kunlun and Förster, Stephan and Egami, Takeshi and Ohl, M.},
abstractNote = {Plastic crystals are a promising candidate for solid state ionic conductors. In this work, quasielastic neutron scattering is employed to investigate the center of mass diffusive motions in two types of plastic crystalline cyclic alcohols: cyclohexanol and cyclooctanol. Two separate motions are observed which are attributed to long-range translational diffusion (α-process) and cage rattling (fast β-process). Residence times and diffusion coefficients are calculated for both processes, along with the confinement distances for the cage rattling. In addition, a binary mixture of these two materials is measured to understand how the dynamics change when a second type of molecule is added to the matrix. Furthermore, it is observed that, upon the addition of the larger cyclooctanol molecules into the cyclohexanol solution, the cage size decreases, which causes a decrease in the observed diffusion rates for both the α- and fast β-processes.},
doi = {10.1021/acs.jpcb.8b03448},
journal = {Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry},
number = [23],
volume = [122],
place = {United States},
year = {2018},
month = {5}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Figures / Tables:

Figure 1 Figure 1: (a) QENS data for OCT at Q = 1.0 Å-1 and temperatures 230 K, 240 K, 270 K, and 280 K. The solid lines are a fit of Eq. 1 and the dotted-dashed line is the resolution function. The insert displays all the fit components for T =more » 280 K, with the narrow and broad Lorentzian shown in green and blue, respectively. (b) EISF for the broad Lorentzian where the solid lines are a fit of Eq. 5. $Γ$ vs Q2 for the (c) narrow Lorentzian and (d) broad Lorentzian where the solid lines are fits using Eq. 6.« less

Save / Share:
Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.