DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Self-diffusion of liquid deuterium hydride and liquid tritium

Journal Article · · Journal of Chemical Physics
DOI: https://doi.org/10.1063/5.0230567 · OSTI ID:2515687
ORCiD logo [1];  [2]; ORCiD logo [3]
  1. Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
  2. Winston Churchill High School, Potomac MD (United States)
  3. National Institute of Standards and Technology (NIST), Gaithersburg, MD (United States). Center for Neutron Research

Here, we present a quasi-elastic neutron scattering study of liquid deuterium hydride carried out using the Disk Chopper Spectrometer at the National Institute of Standards and Technology. Under saturated vapor pressure, the self-diffusion constant of deuterium hydride obeys an Arrhenius law D = D0 exp(-EA/kBT), where the prefactor D0 is given by D0 = 9.5 ± 1.2 Å2/ps and the activation energy is given by EA = 58 ± 2 K. We apply the quantum law of corresponding states to the known diffusion constants of the hydrogen isotopologues. From this application, we estimate that D0 ≈ 9.1 Å2/ps and EA ≈ 75 K in liquid tritium. Young’s theory of quantum-mechanical effects in van der Waals fluids is shown to apply to the diffusion constants of the liquid hydrogens. Our results underscore the importance of nuclear quantum effects in shaping the properties and behavior of the hydrogen isotopologues.

Research Organization:
Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
Sponsoring Organization:
National Science Foundation (NSF); USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
AC52-07NA27344
OSTI ID:
2515687
Report Number(s):
LLNL--JRNL-869377; 1106113
Journal Information:
Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 14 Vol. 161; ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English

References (39)

Self-diffusion of Liquid Hydrogen: A Quasi-elastic Neutron Scattering Study journal August 2020
Quantum theory of condensed permanent gases I the law of corresponding states journal April 1948
Transport coefficients of normal liquid helium-4 calculated by path integral centroid molecular dynamics simulation journal March 2017
The Disk Chopper Spectrometer at NIST: a new instrument for quasielastic neutron scattering studies journal August 2003
Diffusive motions in HD films physisorbed on graphite journal May 2003
Isotopic Effects on Intermolecular and Intramolecular Structure and Dynamics in Hydrogen, Deuterium, and Tritium Liquids: Normal Liquid and Weakly and Strongly Cooled Liquids journal August 2018
Surface melting of deuterium hydride thick films journal January 1990
Low-Temperature Transport Properties of Gaseous H2, D2, and HD journal April 1966
Principle of Corresponding States for Transport Properties journal June 1960
Kinetic Theory of Dense Fluids. X. Measurement and Interpretation of Self-Diffusion in Liquid Ar, Kr, Xe, and CH4 journal May 1962
Quantum Effects in Liquid Hydrogen journal August 1963
Centroid molecular dynamics approach to the transport properties of liquid para-hydrogen over the wide temperature range journal June 2004
Potential energy surface for interactions between two hydrogen molecules journal January 2008
Self-diffusion of liquid hydrogen and deuterium journal February 1977
The isotropic intermolecular potential for H 2 and D 2 in the solid and gas phases journal November 1978
Incoherent neutron scattering functions for random jump diffusion in bounded and infinite media journal February 1981
Isotopic effect in the lattice parameter of rare-gas solids journal January 2003
Ground State of Liquid He 4 journal April 1965
Theory of quantum-mechanical effects on the thermodynamic properties of Lennard-Jones fluids journal March 1981
Vacancies and Diffusion in Solid Hydrogen journal June 1972
Zero-point motion of liquid and solid hydrogen journal March 2023
Pulsed NMR studies of self-diffusion and defect structure in liquid and solid krypton journal April 1976
Collective excitations in liquid deuterium: Neutron-scattering and correlated-density-matrix results journal June 1993
Diffusion of atoms and molecules in the solid hydrogens journal September 1995
Multilayer adsorption of deuterium hydride on graphite journal March 1998
Pulsed Nuclear Magnetic Resonance ofNe21in Solid and Liquid Neon journal September 1972
Lattice dynamics and molecular rotations in solid hydrogen deuteride: Inelastic neutron scattering study journal April 2009
Quantum statistics and the momentum distribution of liquid parahydrogen journal May 2009
Pair potentials and equation of state of solid para -hydrogen to megabar pressure journal July 2013
The solid molecular hydrogens in the condensed phase: Fundamentals and static properties journal April 1980
Path integrals in the theory of condensed helium journal April 1995
THE RAMAN SPECTRA OF LIQUID AND SOLID H 2 , D 2 , AND HD AT HIGH RESOLUTION journal January 1962
The Induced Infrared Absorption Spectrum of Solid Deuterium and Solid Hydrogen Deuteride journal February 1966
The law of Corresponding States and cold Neutron Scattering by Liquids journal April 1966
Molecular mobility of confined phases in model mesoporous (MCM-41) and microporous (AlPO 4 -5 zeolite) host materials journal November 2003
Messung der Streuquerschnitte von flüssigem und festem Wasserstoff, Deuterium und Deuteriumhydrid für thermische Neutronen journal June 1970
Microscopic Pair Potentials and the Physical Properties of the Condensed Phases of Parahydrogen journal December 2022
Hydrogen Deuteride for Cold Neutron Production: A Model for the Double Differential Cross Section journal May 2024
DAVE: A Comprehensive Software Suite for the Reduction, Visualization, and Analysis of Low Energy Neutron Spectroscopic Data
  • Azuah, Richard Tumanjong; Kneller, Larry R.; Qiu, Yiming
  • Journal of Research of the National Institute of Standards and Technology, Vol. 114, Issue 6 https://doi.org/10.6028/jres.114.025
journal November 2009