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dc.contributor.authorLiu, X.
dc.contributor.authorFan, Chunyan
dc.contributor.authorDo, D.D.
dc.contributor.authorPareek, Vishnu
dc.contributor.authorYang, P.
dc.date.accessioned2020-10-03T05:06:33Z
dc.date.available2020-10-03T05:06:33Z
dc.date.issued2020
dc.identifier.citationLiu, X. and Fan, C. and Do, D.D. and Pareek, V. and Yang, P. 2020. A temperature-dependent potential model for mercury in the description of vapour-liquid equilibrium & adsorption in activated carbon. Chemical Engineering Science. 215: Article No. 115453.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/81332
dc.identifier.doi10.1016/j.ces.2019.115453
dc.description.abstract

© 2019 Elsevier Ltd A practical potential equation for mercury was developed, by incorporating the long-ranged interaction and multi-body effects into the temperature-dependent dispersion parameters, to describe the thermodynamic properties of the liquid-vapour equilibrium and adsorption in carbonaceous materials. The collision diameter (σ) decreases and the well depth of interaction energy (ε) increases with temperature, with the product σ6ε (a measure of attraction) decreasing with temperature. The critical temperature derived from this model, 1745 K, agrees well with the experimental value of 1751 K, and the wetting temperature of mercury on graphite was found to be 1600 K, supporting the fact that mercury does not wet carbon under ambient conditions. Furthermore, it was illustrated with mercury can fill ultrafine graphitic slit pores, whose widths less than 0.7 nm, under ambient temperatures, because of the enhancement of the solid-fluid potential and the strong intermolecular interactions, and the simulation results qualitatively agree well with experimental data.

dc.languageEnglish
dc.publisherPERGAMON-ELSEVIER SCIENCE LTD
dc.relation.sponsoredbyhttp://purl.org/au-research/grants/arc/DE160100959
dc.subjectScience & Technology
dc.subjectTechnology
dc.subjectEngineering, Chemical
dc.subjectEngineering
dc.subjectMercury
dc.subjectLiquid-vapor equilibrium
dc.subjectPotential model
dc.subjectAdsorption
dc.subjectMonte Carlo Simulation
dc.subjectMONTE-CARLO-SIMULATION
dc.subjectFLUE-GAS
dc.subjectTHERMODYNAMICS
dc.subjectCOEXISTENCE
dc.subjectBINDING
dc.subjectSIZE
dc.subjectHG
dc.titleA temperature-dependent potential model for mercury in the description of vapour-liquid equilibrium & adsorption in activated carbon
dc.typeJournal Article
dcterms.source.volume215
dcterms.source.issn0009-2509
dcterms.source.titleChemical Engineering Science
dc.date.updated2020-10-03T05:06:33Z
curtin.departmentWASM: Minerals, Energy and Chemical Engineering
curtin.accessStatusFulltext not available
curtin.facultyFaculty of Science and Engineering
curtin.contributor.orcidPareek, Vishnu [0000-0002-0848-3671]
curtin.contributor.orcidFan, Chunyan [0000-0001-5176-1238]
curtin.contributor.researcheridFan, Chunyan [N-3072-2017]
curtin.identifier.article-numberARTN 115453
dcterms.source.eissn1873-4405
curtin.contributor.scopusauthoridPareek, Vishnu [57203095969] [6603751347]
curtin.contributor.scopusauthoridFan, Chunyan [35148017700]


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