Adsorption behavior of poly(ethylene oxide) on kaolinite: Experimental and molecular simulation study

• Autorzy: Wang Tingting , Wang Jing , Zhang Mingqing , Liu Bingfeng , Zhang Haijun , Li Jihui

Identyfikatory

DOI

10.37190/ppmp/185900

• Języki publikacji: EN

Abstrakty

EN

Poly(ethylene oxide) (PEO) adsorption behavior on kaolinite surfaces in an aqueous solution was investigated through experiments, the density functional theory (DFT), and molecular dynamics (MD) simulations. The experimental results showed that as the PEO concentration increased, the adsorption capacity first increased then slightly decreased and the turbidity change was opposite. The adsorption isotherm on the kaolinite surface was more suitable for the Langmuir model and valid for single-layer adsorption. The results of simulations showed that the PEO chains extended along the two basal surfaces of kaolinite or were partly adsorbed, forming loops and tails that caused most of the particles to flocculate, contributing to the turbidity lowering. When the number of PEO chains was excessive, their self- and inter-aggregation occurred with some PEO far from the surface, and the turbidity increased. On the kaolinite (001) surface, the hydrogen bonds between the PEO ether O and the hydroxyl groups constituted the main interaction mechanism. However, the hydrophobic force of the (CH2–CH2)–moiety of PEO might have dominated its adsorption on the (001̅) surface. The hydrogen bonds were stronger than the hydrophobic interactions.

Słowa kluczowe

EN

kaolinite; poly(ethylene oxide); adsorption behavior; density functional theory; molecular dynamics

• Wydawca: Oficyna Wydawnicza Politechniki Wrocławskiej
• Czasopismo: Physicochemical Problems of Mineral Processing
• Rocznik: 2024
• Tom: Vol. 60, iss. 2
• Strony: art. no. 185900
• Opis fizyczny: Bibliogr. 18 poz., rys., tab., wykr.

Twórcy

autor

Wang Tingting

• School of Environmental Science & Spatial Informatics, China University of Mining & Technology, Xuzhou 221116, Jiangsu, China

autor

Wang Jing

• School of Environmental Science & Spatial Informatics, China University of Mining & Technology, Xuzhou 221116, Jiangsu, China

autor

Zhang Mingqing

• School of Environmental Science & Spatial Informatics, China University of Mining & Technology, Xuzhou 221116, Jiangsu, China
• Chinese National Engineering Research Center of Coal Preparation and Purification, China University of Mining & Technology, Xuzhou 221116, Jiangsu, China

autor

Liu Bingfeng

• School of Environmental Science & Spatial Informatics, China University of Mining & Technology, Xuzhou 221116, Jiangsu, China

autor

Zhang Haijun

• Chinese National Engineering Research Center of Coal Preparation and Purification, China University of Mining & Technology, Xuzhou 221116, Jiangsu, China

autor

Li Jihui

• School of Chemical and Environmental Engineering, China University of Mining &Technology Beijing, Beijing 100083, China

Bibliografia

• BEHL. S., MOUDGIL, B.M., 1993, Mechanisms of Polyethylene Oxide Interaction with apatite, J. Colloid Interface Sci. 161, 443-449.
• BISH, D., 1993, Rietveld refinement of the kaolinite structure at 1.5 K, Clays and Clay Minerals. 41(6) 738-744.
• CHEN J., MIN F., LIU L., LIU C., 2019, Mechanism research on surface hydration of Kaolinite, insights from DFT and MD simulations, Applied Surface Science 476(15), 6-15.
• DELLEY B., 1995, DMol, a standard tool for density functional calculations: review and advances, Theoretical and computational chemistry. 2, 221-254.
• DESIRAJU G.R., STEINER T., 2001, The weak hydrogen bond. In Structural Chemistry and Biology: Oxford University Press.
• KLAMT A., SCHÜÜRMANN G., 1993, COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient, J. Chem. Soc. Perkin Trans. 2(5), 799-805.
• LIU D., PENG Y., 2014, Reducing the entrainment of clay minerals in flotation using tap and saline water, Powder Technology. 253, 216-222.
• LUO J., LIU M., XING Y., GUI X., LI J., 2022, Investigating agglomeration of kaolinite particles in the presence of dodecylamine by force testing and molecular dynamics simulation, Colloids and Surfaces A: Physicochemical and Engineering Aspects. 645, 128930.
• MATHUR, S. MOUDGIL B.M., 1997, Adsorption mechanisms of polyethylene oxide on oxide surfaces, Journal of Colloid and Interface Science. 196, 92-98.
• MPFOU P., ADDAI-MENSAH J., RALSTON J., 2003, Investigation of the effect of polymer structure type on flocculation, rheology and dewatering behaviour of kaolinite dispersions, Colloid Interface Sci. 71, 247-268.
• PERDEW J.P., BURKE K., ERNZERHOF M., 1996, Generalized gradient approximation made simple, Phys. Rev. Lett. 77 (18), 3865.
• REN B., LV K., MIN F., CHEN J., LIU C., 2021, A new insight into the adsorption behavior of NPAM on kaolinite/water interface: Experimental and theoretical approach, Fuel. 303(9), 121299.
• STEPANOV I.A., 2005, The heats of chemical reactions: the Van’t-hoff equation and calorimetry, J. Zeitschrift für Physikalische Chemie. 219(8), 1089-1097.
• SWENSON J., SMALLEY M.V., HATHARASINGHE H.L.M., 1998, Mechanism and strength of polymer bridging flocculation, Physical Review Letters. 81(26), 5840.
• TKATCHENKO A., SCHEFFLER M., 2009, Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data, Phys. Rev. Lett. 102(7), 073005.
• UNDERWOOD T., ERASTOVA V., GREENWELL H.C., 2016, Wetting effects and molecular adsorption at hydrated kaolinite clay mineral surface, The Journal of Physical Chemistry C. 120(21), 11433-11439.
• WANG Y., CAO Y., HU S., 2022, Effects of solution pH and polyethylene oxide concentrations on molybdenite–molybdenite, molybdenite–Kaolinite, and molybdenite–quartz interaction forces: AFM colloidal probe study, Separation and Purification Technology. 380, 119926.
• XU Z., LIU J., CHOUNG J. W., ZHOU Z., 2003, Electrokinetic study of clay interactions with coal in flotation, International Journal of Mineral Processing. 68.1, 183-196.