Diffusion Dynamics of Water and Ethanol in Graphene Oxide

Gobin Raj Acharya; Madhusudan Tyagi; Eugene Mamontov; Peter M. Hoffmann

doi:10.1021/acs.jpcb.2c08960

Diffusion Dynamics of Water and Ethanol in Graphene Oxide

Gobin Raj Acharya, Madhusudan Tyagi, Eugene Mamontov, Peter M. Hoffmann

Chemical Spectroscopy

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

We utilized the momentum transfer (Q)-dependence of quasi-elastic neutron scattering (QENS) to measure the dynamics of water and ethanol confined in graphene oxide (GO) powder or membranes at different temperatures and in different orientations. We found reduced diffusivities (up to 30% in the case of water) and a depression of dynamic transition temperatures. While water showed near Arrhenius behavior with an almost bulk-like activation barrier in a temperature range of 280-310 K, the diffusivity of ethanol showed little temperature dependence. For both water and ethanol, we found evidence for immobile and mobile fractions of the confined liquid. The mobile fraction exhibited jump diffusion, with a jump length consistent with the expected average spacing of hydroxide groups in the GO surfaces. From anisotropy measurements, we found weak anisotropy in the diffusivity of the mobile species and in the fraction and geometry of immobile species.

Original language	English
Pages (from-to)	7384-7393
Number of pages	10
Journal	Journal of Physical Chemistry B
Volume	127
Issue number	33
DOIs	https://doi.org/10.1021/acs.jpcb.2c08960
State	Published - Aug 24 2023

Funding

We acknowledge funding through Wayne State University as well as beam time access through Oak Ridge National Laboratory (Spallation Neutron Source, SNS) and the National Institute of Standards and Technology, NIST Center for Neutron Research (NCNR). Work at ORNL’s Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. Access to the HFBS was provided by the Center for High Resolution Neutron Scattering, a partnership between the National Institute of Standards and Technology and the National Science Foundation under agreement no. DMR-2010792. The identification of any commercial product or trade name does not imply endorsement or recommendation by NIST. Preliminary work on confined water was funded by NSF DMR-0804283 (Hoffmann).

Funders	Funder number
Scientific User Facilities Division
National Science Foundation	DMR-0804283, DMR-2010792
U.S. Department of Energy
National Institute of Standards and Technology
Basic Energy Sciences
Oak Ridge National Laboratory
Wayne State University
NIST Center for Neutron Research

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title = "Diffusion Dynamics of Water and Ethanol in Graphene Oxide",

abstract = "We utilized the momentum transfer (Q)-dependence of quasi-elastic neutron scattering (QENS) to measure the dynamics of water and ethanol confined in graphene oxide (GO) powder or membranes at different temperatures and in different orientations. We found reduced diffusivities (up to 30% in the case of water) and a depression of dynamic transition temperatures. While water showed near Arrhenius behavior with an almost bulk-like activation barrier in a temperature range of 280-310 K, the diffusivity of ethanol showed little temperature dependence. For both water and ethanol, we found evidence for immobile and mobile fractions of the confined liquid. The mobile fraction exhibited jump diffusion, with a jump length consistent with the expected average spacing of hydroxide groups in the GO surfaces. From anisotropy measurements, we found weak anisotropy in the diffusivity of the mobile species and in the fraction and geometry of immobile species.",

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Y1 - 2023/8/24

N2 - We utilized the momentum transfer (Q)-dependence of quasi-elastic neutron scattering (QENS) to measure the dynamics of water and ethanol confined in graphene oxide (GO) powder or membranes at different temperatures and in different orientations. We found reduced diffusivities (up to 30% in the case of water) and a depression of dynamic transition temperatures. While water showed near Arrhenius behavior with an almost bulk-like activation barrier in a temperature range of 280-310 K, the diffusivity of ethanol showed little temperature dependence. For both water and ethanol, we found evidence for immobile and mobile fractions of the confined liquid. The mobile fraction exhibited jump diffusion, with a jump length consistent with the expected average spacing of hydroxide groups in the GO surfaces. From anisotropy measurements, we found weak anisotropy in the diffusivity of the mobile species and in the fraction and geometry of immobile species.

AB - We utilized the momentum transfer (Q)-dependence of quasi-elastic neutron scattering (QENS) to measure the dynamics of water and ethanol confined in graphene oxide (GO) powder or membranes at different temperatures and in different orientations. We found reduced diffusivities (up to 30% in the case of water) and a depression of dynamic transition temperatures. While water showed near Arrhenius behavior with an almost bulk-like activation barrier in a temperature range of 280-310 K, the diffusivity of ethanol showed little temperature dependence. For both water and ethanol, we found evidence for immobile and mobile fractions of the confined liquid. The mobile fraction exhibited jump diffusion, with a jump length consistent with the expected average spacing of hydroxide groups in the GO surfaces. From anisotropy measurements, we found weak anisotropy in the diffusivity of the mobile species and in the fraction and geometry of immobile species.

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Diffusion Dynamics of Water and Ethanol in Graphene Oxide

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