Vapor–liquid phase equilibrium diagram for uranium hexafluoride (UF6) using simplified temperature dependent intermolecular potential parameters (TDIP)

Ali Khalaf Al-Matar; Housam Binous

doi:10.1007/s10967-016-4814-5

Vapor–liquid phase equilibrium diagram for uranium hexafluoride (UF₆) using simplified temperature dependent intermolecular potential parameters (TDIP)

Ali Khalaf Al-Matar^*, Housam Binous

^*Corresponding author for this work

King Fahd University of Petroleum & Minerals

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

6 Scopus citations

Abstract

The properties of uranium hexafluoride (UF₆, CAS: 7783-81-5) are of importance to the nuclear industry as a precursor for the enrichment and product spent fuel reprocessing. This work is focused on obtaining the vapor–liquid equilibrium (VLE) curve for UF₆ using temperature dependent intermolecular potential parameters (TDIP) as opposed to temperature independent intermolecular potential parameters (TIIP). TDIP indeed improves the simulated vapor–liquid coexistence curve, critical constants, and vapor pressure of UF₆. However, both approaches need improvement since the predictions are still far from reproducing experimental saturated liquid density data for UF₆.

Original language	English
Pages (from-to)	139-154
Number of pages	16
Journal	Journal of Radioanalytical and Nuclear Chemistry
Volume	310
Issue number	1
DOIs	https://doi.org/10.1007/s10967-016-4814-5
State	Published - 1 Oct 2016

Bibliographical note

Publisher Copyright:
© 2016, Akadémiai Kiadó, Budapest, Hungary.

Keywords

Gibbs ensemble
Lennard-Jones
Temperature dependent intermolecular potential parameters (TDIP)
UF
Uranium hexafluoride
Vapor–liquid equilibria

ASJC Scopus subject areas

Analytical Chemistry
Nuclear Energy and Engineering
Radiology Nuclear Medicine and imaging
Pollution
Spectroscopy
Public Health, Environmental and Occupational Health
Health, Toxicology and Mutagenesis

Access to Document

10.1007/s10967-016-4814-5

Cite this

@article{18c1de709aec448ab86840f9fe39470f,

title = "Vapor–liquid phase equilibrium diagram for uranium hexafluoride (UF6) using simplified temperature dependent intermolecular potential parameters (TDIP)",

abstract = "The properties of uranium hexafluoride (UF6, CAS: 7783-81-5) are of importance to the nuclear industry as a precursor for the enrichment and product spent fuel reprocessing. This work is focused on obtaining the vapor–liquid equilibrium (VLE) curve for UF6 using temperature dependent intermolecular potential parameters (TDIP) as opposed to temperature independent intermolecular potential parameters (TIIP). TDIP indeed improves the simulated vapor–liquid coexistence curve, critical constants, and vapor pressure of UF6. However, both approaches need improvement since the predictions are still far from reproducing experimental saturated liquid density data for UF6.",

keywords = "Gibbs ensemble, Lennard-Jones, Temperature dependent intermolecular potential parameters (TDIP), UF, Uranium hexafluoride, Vapor–liquid equilibria",

author = "Al-Matar, \{Ali Khalaf\} and Housam Binous",

note = "Publisher Copyright: {\textcopyright} 2016, Akad{\'e}miai Kiad{\'o}, Budapest, Hungary.",

year = "2016",

month = oct,

day = "1",

doi = "10.1007/s10967-016-4814-5",

language = "English",

volume = "310",

pages = "139--154",

journal = "Journal of Radioanalytical and Nuclear Chemistry",

issn = "0236-5731",

publisher = "Springer Nature",

number = "1",

}

TY - JOUR

T1 - Vapor–liquid phase equilibrium diagram for uranium hexafluoride (UF6) using simplified temperature dependent intermolecular potential parameters (TDIP)

AU - Al-Matar, Ali Khalaf

AU - Binous, Housam

PY - 2016/10/1

Y1 - 2016/10/1

N2 - The properties of uranium hexafluoride (UF6, CAS: 7783-81-5) are of importance to the nuclear industry as a precursor for the enrichment and product spent fuel reprocessing. This work is focused on obtaining the vapor–liquid equilibrium (VLE) curve for UF6 using temperature dependent intermolecular potential parameters (TDIP) as opposed to temperature independent intermolecular potential parameters (TIIP). TDIP indeed improves the simulated vapor–liquid coexistence curve, critical constants, and vapor pressure of UF6. However, both approaches need improvement since the predictions are still far from reproducing experimental saturated liquid density data for UF6.

AB - The properties of uranium hexafluoride (UF6, CAS: 7783-81-5) are of importance to the nuclear industry as a precursor for the enrichment and product spent fuel reprocessing. This work is focused on obtaining the vapor–liquid equilibrium (VLE) curve for UF6 using temperature dependent intermolecular potential parameters (TDIP) as opposed to temperature independent intermolecular potential parameters (TIIP). TDIP indeed improves the simulated vapor–liquid coexistence curve, critical constants, and vapor pressure of UF6. However, both approaches need improvement since the predictions are still far from reproducing experimental saturated liquid density data for UF6.

KW - Gibbs ensemble

KW - Lennard-Jones

KW - Temperature dependent intermolecular potential parameters (TDIP)

KW - UF

KW - Uranium hexafluoride

KW - Vapor–liquid equilibria

UR - https://www.scopus.com/pages/publications/84964466748

U2 - 10.1007/s10967-016-4814-5

DO - 10.1007/s10967-016-4814-5

M3 - Article

AN - SCOPUS:84964466748

SN - 0236-5731

VL - 310

SP - 139

EP - 154

JO - Journal of Radioanalytical and Nuclear Chemistry

JF - Journal of Radioanalytical and Nuclear Chemistry

IS - 1

ER -