Abstract—
Investigation of the physical chemistry of adsorption by carbon sorbents is a very important task from both theoretical and practical points of view. The thermodynamics of adsorption is affected by defects on the sorbent surface, including oxygen-containing functional groups. In this work, adsorption of a series of aromatic and aliphatic amines and nitriles by the surface of graphitized thermal carbon black is simulated using the Monte Carlo method. The results of calculations are compared to the experimental data. The cases of isolated and paired arrangement of functional groups are considered, and regularities of interaction between different classes of nitrogen-containing compounds and such defects are revealed. On the basis of comparison with the experimental data, assumptions about the presence and distribution of hydroxyls on the surface of graphitized thermal carbon black are made.
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REFERENCES
Kiselev, A.V. and Poshkus, D.P., J. Chem. Soc., Faraday Trans. 2, 1976, vol. 72, pp. 950–966.
Klomkliang, N., Kaewmanee, R., Saimoey, S., Intarayothya, S., Do, D.D., and Nicholson, D., Carbon, 2016, vol. 99, pp. 361–369.
Do, D.D. and Do, H.D., Mol. Simul., 2005, vol. 31, no. 9, pp. 651–659.
Comer, J., Chen, R., Poblete, H., Vergara-Jaque, A., and Riviere, J.E., ACS Nano, 2015, vol. 9, no. 12, pp. 11761–11774.
McCallum, C.L., Bandosz, T.J., McGrother, S.C., Müller, E.A., and Gubbins, K.E., Langmuir, 1999, vol. 15, no. 2, pp. 533–544.
Mohammadi-Jam, S. and Waters, K.E., Adv. Colloid Interface Sci., 2014, vol. 212, pp. 21–44.
Belyakova, L.D., Buryak, A.K., and Larionov, O.G., Prot. Met. Phys. Chem. Surf., 2013, vol. 49, no. 6, pp. 605–626.
Trojanowicz, M., TrAC,Trends Anal. Chem., 2006, vol. 25, no. 5, pp. 480–489.
Reungoat, J., Macova, M., Escher, B.I., Carswell, S., Mueller, J.F., and Keller, J., Water Res., 2010, vol. 44, no. 2, pp. 625–637.
Yu, J.-G., Zhao, X.-H., Yang, H., Chen, X.-H., Yang, Q., Yu, L.-Y., Jiang, J.-H., and Chen, X.-Q., Sci. Total Environ., 2014, vols. 482–483, pp. 241–251.
Wang, J., Wolf, R.M., Caldwell, J.W., Kollman, P.A., and Case, D.A., J. Comput. Chem., 2004, vol. 25, pp. 1157–1174.
Leroy, F., Liu, S., and Zhang, J., J. Phys. Chem., 2015, vol. 119, no. 51, pp. 28470–28481.
Halgren, T.A., J. Comput. Chem., 1996, vol. 17, nos. 5–6, pp. 490–519.
Steele, W.A., Surf. Sci., 1973, vol. 36, no. 1, pp. 317–352.
Kiselev, A.V., Polotnyuk, E.B., and Shcherbakova, K.D., Chromatographia, 1981, vol. 14, no. 8, pp. 478–483.
Matyushin, D.D. and Buryak, A.K., J. Anal. Chem., 2019, vol. 74, no. 1, Suppl., pp. S47–S51.
Funding
The work was carried out under partial financial support from the Program for Basic Research of the Presidium of the Russian Academy of Sciences no. 14-P (former 36-P).
The work was also carried out under partial financial support of the Russian Foundation for Basic Research, grant no. 18-08-01224.
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Translated by Z. Smirnova
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Matyushin, D.D., Ukleina, A.N., Polunina, I.A. et al. Investigating the Effect of the Presence and Arrangement of Functional Groups at the Carbon Sorbent Surface on Adsorption of Nitrogen-Containing Compounds. Prot Met Phys Chem Surf 55, 1030–1034 (2019). https://doi.org/10.1134/S2070205119060224
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DOI: https://doi.org/10.1134/S2070205119060224