Home Friction Article
PDF (4.5 MB)
Cite
EndNote(RIS) BibTeX
Collect
Submit Manuscript
Research Article | Open Access

Adsorption limitation investigation on olefins for Cu–BTC

Xiao YANG1,2(), Yunbo WANG1,2, Weihua CAO1,2, Ruizheng JIANG1,2, Guoxin XIE3(), Yuying CAO1, Xiaowen QI1,4
School of Mechanical Engineering, Yanshan University, Qinhuangdao 066004, China
Key Laboratory of Self-Lubricating Spherical Plain Bearing Technology of Hebei Province, Yanshan University, Qinhuangdao 066004, China
State Key Laboratory of Tribology in Advanced Equipment, Department of Mechanical Engineering, Tsinghua University, Beijing 100084, China
Aviation Key Laboratory of Science and Technology on Generic Technology of Self-Lubricating Spherical Plain Bearing, Yanshan University, Qinhuangdao 066004, China
Show Author Information

Graphical Abstract

View original image Download original image

Abstract

To utilize Cu–benzene-1,3,5-tricarboxylate (Cu–BTC) adsorbed lubricant oils in the self-lubricating field, the adsorption properties of Cu–BTC on different 1-olefins must be clarified. In this work, 1-hexene, 1-octene, 1-nonene, 1-decene, 1-undecene, and 1-dodecene were studied by the Monte Carlo method and experimentally. The adsorption limit of Cu–BTC for n-olefins was determined as 1-undecene by the adsorption isotherms. This suggested a limit for even straight-chain molecules to the adsorption of Cu–BTC. The maximum ratio of the olefin length of the largest pore diameter (L/D) of Cu–BTC was approximately 1.57. Furthermore, theoretical calculations (radial distribution function (RDF)) and experiments (infrared (IR) spectra) confirmed the interaction of n-olefin adsorbates and the Cu–BTC framework occurred between the –CH= of olefins and the Cu and O atoms of the Cu–BTC framework. This work adds to the understanding and investigation of the adsorption of liquid lubricants using Cu–BTC as a metal–organic framework (MOF).

Keywords

metal–organic framework (MOF)Cu–benzene-1,3,5-tricarboxylate (Cu–BTC)Monte Carlo methodadsorption properties1-olefins

References

[1]
Millward A R, Yaghi O M. Metal–organic frameworks with exceptionally high capacity for storage of carbon dioxide at room temperature. J Am Chem Soc 127(51): 17998–17999 (2005)
Crossref Google Scholar
[2]
Férey G. Microporous solids: From organically templated inorganic skeletons to hybrid frameworks… Ecumenism in chemistry. Chem Mater 13(10): 3084–3098 (2001)
Crossref Google Scholar
[3]
Batten S R. Coordination polymers. Curr Opin Solid St M 5(2–3): 107–114 (2001)
Crossref Google Scholar
[4]
Rao C N R, Natarajan S, Vaidhyanathan R. Metal carboxylates with open architectures. Angew Chem Int Ed 43(12): 1466–1496 (2004)
Crossref Google Scholar
[5]
Chae H K, Siberio-Pérez D Y, Kim J, Go Y, Eddaoudi M, Matzger A J, O’Keeffe M, Yaghi O M. A route to high surface area, porosity and inclusion of large molecules in crystals. Nature 427(6974): 523–527 (2004)
Crossref Google Scholar
[6]
Rowsell J L C, Yaghi O M. Strategies for hydrogen storage in metal–organic frameworks. Angew Chem Int Ed 44(30): 4670–4679 (2005)
Crossref Google Scholar
[7]
Bauer S, Serre C, Devic T, Horcajada P, Marrot J, Férey G, Stock N. High-throughput assisted rationalization of the formation of metal organic frameworks in the iron(III) aminoterephthalate solvothermal system. Inorg Chem 47(17): 7568–7576 (2008)
Crossref Google Scholar
[8]
Evans J D, Garai B, Reinsch H, Li W J, Dissegna S, Bon V, Senkovska I, Fischer R A, Kaskel S, Janiak C, et al. Metal–organic frameworks in Germany: From synthesis to function. Coordin Chem Rev 380: 378–418 (2019)
Crossref Google Scholar
[9]
Silva P, Vilela S M F, Tomé J P C, Paz F A A. Multifunctional metal–organic frameworks: From academia to industrial applications. Chem Soc Rev 44(19): 6774–6803 (2015)
Crossref Google Scholar
[10]
Hashemzadeh H, Raissi H, Farzad F. Design of new materials based on functionalization of Cu–BTC for adsorption and separation of CH4 and CO2: GCMC and MD simulations study. Russ J Phys Chem A+ 94(7): 1415–1421 (2020)
Crossref Google Scholar
[11]
Horcajada P, Serre C, Vallet-Regí M, Sebban M, Taulelle F, Férey G. Metal–organic frameworks as efficient materials for drug delivery. Angew Chem Int Ed 45(36): 5974–5978 (2006)
Crossref Google Scholar
[12]
Liu L, Zhang Y, Qiao Y J, Tan S C, Feng S F, Ma J, Liu Y H, Luo J B. 2D metal–organic frameworks with square grid structure: A promising new-generation superlubricating material. Nano Today 40: 101262 (2021)
Crossref Google Scholar
[13]
Liu L, Wang K P, Liu Y H, Luo J B. The relationship between surface structure and super-lubrication performance based on 2D MOFs. Appl Mater Today 26: 101382 (2022)
Crossref Google Scholar
[14]
Zhang G L, Xie G X, Si L N, Wen S Z, Guo D. Ultralow friction self-lubricating nanocomposites with mesoporous metal–organic frameworks as smart nanocontainers for lubricants. ACS Appl Mater Interfaces 9(43): 38146–38152 (2017)
Crossref Google Scholar
[15]
Fan X Q, Wang L P. High-performance lubricant additives based on modified graphene oxide by ionic liquids. J Colloid Interf Sci 452: 98–108 (2015)
Crossref Google Scholar
[16]
Choudhary S, Mungse H P, Khatri O P. Dispersion of alkylated graphene in organic solvents and its potential for lubrication applications. J Mater Chem 22(39): 21032–21039 (2012)
Crossref Google Scholar
[17]
Zhang W, Zhou M, Zhu H W, Tian Y, Wang K L, Wei J Q, Ji F, Li X, Li Z, Zhang P, et al. Tribological properties of oleic acid-modified graphene as lubricant oil additives. J Phys D Appl Phys 44(20): 205303 (2011)
Crossref Google Scholar
[18]
Donnet C, Erdemir A. Historical developments and new trends in tribological and solid lubricant coatings. Surf Coat Technol 180–181: 76–84 (2004)
Crossref Google Scholar
[19]
Erdemir A. Review of engineered tribological interfaces for improved boundary lubrication. Tribol Int 38(3): 249–256 (2005)
Crossref Google Scholar
[20]
De Mello J D B, Binder C, Hammes G, Binder R, Klein A N. Tribological behaviour of sintered iron based self-lubricating composites. Friction 5(3): 285–307 (2017)
Crossref Google Scholar
[21]
Pan S H, Jin K Y, Wang T L, Zhang Z N, Zheng L, Umehara N. Metal matrix nanocomposites in tribology: Manufacturing, performance, and mechanisms. Friction 10(10): 1596–1634 (2022)
Crossref Google Scholar
[22]
Chui S S Y, Lo S M F, Charmant J P H, Orpen A G, Williams I D. A chemically functionalizable nanoporous material [Cu3(TMA)2(H2O)3]n. Science 283(5405): 1148–1150 (1999)
Crossref Google Scholar
[23]
Vishnyakov A, Ravikovitch P I, Neimark A V, Bülow M, Wang Q M. Nanopore structure and sorption properties of Cu–BTC metal–organic framework. Nano Lett 3(6): 713–718 (2003)
Crossref Google Scholar
[24]
Martín-Calvo A, García-Pérez E, Castillo J M, Calero S. Molecular simulations for adsorption and separation of natural gas in IRMOF-1 and Cu–BTC metal–organic frameworks. Phys Chem Chem Phys 10(47): 7085–7091 (2008)
Crossref Google Scholar
[25]
Wehring M, Gascon J, Dubbeldam D, Kapteijn F, Snurr R Q, Stallmach F. Self-diffusion studies in CuBTC by PFG NMR and MD simulations. J Phys Chem C 114(23): 10527–10534 (2010)
Crossref Google Scholar
[26]
Liu J C, Culp J T, Natesakhawat S, Bockrath B C, Zande B, Sankar S G, Garberoglio G, Johnson J K. Experimental and theoretical studies of gas adsorption in Cu3(BTC)2: An effective activation procedure. J Phys Chem C 111(26): 9305–9313 (2007)
Crossref Google Scholar
[27]
Mueller U, Schubert M, Teich F, Puetter H, Schierle-Arndt K, Pastré J. Metal–organic frameworks—Prospective industrial applications. J Mater Chem 16(7): 626–636 (2006)
Crossref Google Scholar
[28]
Pan L, Olson D H, Ciemnolonski L R, Heddy R, Li J. Separation of hydrocarbons with a microporous metal–organic framework. Angew Chem Int Ed 45(4): 616–619 (2006)
Crossref Google Scholar
[29]
Klein N, Henschel A, Kaskel S. n-butane adsorption on Cu3(BTC)2 and MIL-101. Micropor Mesopor Mat 129(1–2): 238–242 (2010)
Crossref Google Scholar
[30]
Lamia N, Jorge M, Granato M A, Paz F A A, Chevreau H, Rodrigues A E. Adsorption of propane, propylene and isobutane on a metal–organic framework: Molecular simulation and experiment. Chem Eng Sci 64(14): 3246–3259 (2009)
Crossref Google Scholar
[31]
Jorge M, Lamia N, Rodrigues A E. Molecular simulation of propane/propylene separation on the metal–organic framework CuBTC. Colloid Surface A 357(1–3): 27–34 (2010)
Crossref Google Scholar
[32]
Rubeš M, Wiersum A D, Llewellyn P L, Grajciar L, Bludský O, Nachtigall P. Adsorption of propane and propylene on CuBTC metal–organic framework: Combined theoretical and experimental investigation. J Phys Chem C 117(21): 11159–11167 (2013)
Crossref Google Scholar
[33]
Van Assche T R C, Duerinck T, Gutiérrez Sevillano J J, Calero S, Baron G V, Denayer J F M. High adsorption capacities and two-step adsorption of polar adsorbates on copper–benzene-1,3,5-tricarboxylate metal–organic framework. J Phys Chem C 117(35): 18100–18111 (2013)
Crossref Google Scholar
[34]
Luna-Triguero A, Vicent-Luna J M, Gómez-Álvarez P, Calero S. Olefin/paraffin separation in open metal site Cu–BTC metal–organic framework. J Phys Chem C 121(5): 3126–3132 (2017)
Crossref Google Scholar
[35]
Chmelik C, Kärger J, Wiebcke M, Caro J, van Baten J M, Krishna R. Adsorption and diffusion of alkanes in CuBTC crystals investigated using infra-red microscopy and molecular simulations. Micropor Mesopor Mat 117(1–2): 22–32 (2009)
Crossref Google Scholar
[36]
Kulkarni A R, Sholl D S. Screening of copper open metal site MOFs for olefin/paraffin separations using DFT-derived force fields. J Phys Chem C 120(40): 23044–23054 (2016)
Crossref Google Scholar
[37]
Dubbeldam D, Calero S, Ellis D E, Snurr R Q. RASPA: Molecular simulation software for adsorption and diffusion in flexible nanoporous materials. Mol Simulat 42(2): 81–101 (2016)
Crossref Google Scholar
Friction
Volume 12 Issue 4,
April 2024
Pages 606-617
DOI: 10.1007/s40544-023-0763-5
Cite this article:
YANG X, WANG Y, CAO W, et al. Adsorption limitation investigation on olefins for Cu–BTC. Friction, 2024, 12(4): 606-617. https://doi.org/10.1007/s40544-023-0763-5
Metrics & Citations  
Article History
Copyright
Rights and Permissions
Return