title: Structure of dense hydrogen fluoride gas from neutron diffraction and molecular dynamics simulations.
abstract: The gas phase of hydrogen fluoride has been investigated by neutron diffraction experiments at three different particle densities. All investigated states are within the liquid-gas coexistence region of hydrogen fluoride. From the obtained diffraction data we deduced information about the local structure of the gas phase, which consists of small agglomerates. This has been expected as liquid hydrogen fluoride forms the strongest hydrogen bonds known. Molecular dynamics simulations with a modified potential have been carried out for all experimentally investigated states. The results confirmed that the size of the formed agglomerates in the gas phase is growing with increasing density of the gas phase.
authors.affiliation: Institut für Physikalische Chemie, Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany. m.kreitmeir@ipc.uni-stuttgart.de
authors.forename: Markus
authors.initials: M
authors.lastname: Kreitmeir
authors.forename: Gerhard
authors.initials: G
authors.lastname: Heusel
authors.forename: Helmut
authors.initials: H
authors.lastname: Bertagnolli
authors.forename: Klaus
authors.initials: K
authors.lastname: Tödheide
authors.forename: Christopher J
authors.initials: CJ
authors.lastname: Mundy
authors.forename: Gabriel J
authors.initials: GJ
authors.lastname: Cuello