The grounds for the modification of membranes with the help of quantum mechanical calculation method

Mykola Nechytailo; Olena Nahorna; Olena Nesterova

doi:10.1051/e3sconf/202016800032

All issues

Volume 168 (2020)

E3S Web Conf., 168 (2020) 00032

References

Open Access

Issue		E3S Web Conf. Volume 168, 2020 II International Conference Essays of Mining Science and Practice


Article Number		00032
Number of page(s)		11
DOI		https://doi.org/10.1051/e3sconf/202016800032
Published online		06 May 2020

Slastunov, S.V, Koroleva, V.N., Kolikov, K.S. (2001). Gornoe delo i okruzhayuschaya sreda. Moskva: Logos [Google Scholar]
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Nechitaylo, N., Nagornaya, E., Nesterova, E. (2016). Exploring the properties of ultrafiltration membranes with a dynamic layer and bactericidal inoculation for the purification of natural waters. Vostochno-Evropeyskiy zhurnal peredovykh tekhnologiy [Eastern-European Journal of Enterprise Technologies], 6/5 (84), 46-53. https://doi.org/10.15587/1729-4061.2016.86187 [CrossRef] [Google Scholar]
Nechytailo, N., Nahorna, О., Kosiuk, Y. Defining the effect of the chemical concentration and solution pH on membrane chemical cleaning process. E3S Web of Conferences: International Conference Essays of Mining Science and Practice, 109 (2019). https://doi.org/10.1051/e3sconf/201910900061 [Google Scholar]
Yu, X., Yi, B., Xie, Z., Wang, X., Liu, F. Prediction of the conformational property for polymers using quantum chemical descriptors. Chemometrics and Intelligent Laboratory Systems, 87(2), 247–251, (2007). https://doi.org/10.1016/j.chemolab.2007.03.001 [CrossRef] [Google Scholar]
Liu, W., Yi, P., Tang, Z. QSPR Models for Various Properties of Polymethacrylates Based on Quantum Chemical Descriptors. QSAR & Combinatorial Science, 25(10), 936–943, (2006). https://doi.org/10.1002/qsar.200510177 [Google Scholar]
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Yu, X., Yi, B., Wang, X. Prediction of refractive index of vinyl polymers by using density functional theory. Journal of Computational Chemistry, 28(14), 2336–2341, (2007). https://doi.org/10.1002/jcc.20752 [CrossRef] [PubMed] [Google Scholar]
Xu, J., Chen, B., Zhang, Q., Guo, B. Prediction of refractive indices of linear polymers by a four-descriptor QSPR model. Polymer, 45(26), 8651–8659, (2004). https://doi.org/10.1016/j.polymer.2004.10.057 [Google Scholar]
Yang, C., Wang, B., Zhang, Y., Wang, H. Preparation and properties of polyacrylonitrile fibers with guanidine groups. Fibers and Polymers, 16(8), 1611–1617, (2015). https://doi.org/10.1007/s12221-015-4480-1 [CrossRef] [Google Scholar]
Mei, Y., Yao, C., Fan, K., Li, X. Surface modification of polyacrylonitrile nanofibrous membranes with superior antibacterial and easy-cleaning properties through hydrophilic flexible spacers. Journal of Membrane Science, 417-418, 20–27, (2012). https://doi.org/10.1016/j.memsci.2012.06.021 [Google Scholar]
Salaneck, W. R., Wu, C. R., Brédas, J. L., Ritsko, J. J. Electronic structure of polyacrylonitrile. Chemical Physics Letters, 127(1), 88–92, (1986). https://doi.org/10.1016/S0009-2614(86)80214-7 [Google Scholar]

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[1] Slastunov, S.V, Koroleva, V.N., Kolikov, K.S. (2001). Gornoe delo i okruzhayuschaya sreda. Moskva: Logos [Google Scholar]

[2] Pevzner, M.E., Malyishev, L.A., Melkov, A.D., Ushan, V.P. (2001). Gornoe delo i ohrana okruzhayuschey sredyi. Moskva: Izdatelstvo Moskovskogo gosudarstvennogo gornogo universiteta [Google Scholar]

[3] Dorozhko, S., Malkevich, N., Morzak, G. (2012). Tehnicheskie osnovyi ohranyi okruzhayuschey sredyi. Minsk: BNTU [Google Scholar]

[4] Nechitaylo, N., Nagornaya, E., Nesterova, E. (2016). Exploring the properties of ultrafiltration membranes with a dynamic layer and bactericidal inoculation for the purification of natural waters. Vostochno-Evropeyskiy zhurnal peredovykh tekhnologiy [Eastern-European Journal of Enterprise Technologies], 6/5 (84), 46-53. https://doi.org/10.15587/1729-4061.2016.86187 [CrossRef] [Google Scholar]

[5] Nechytailo, N., Nahorna, О., Kosiuk, Y. Defining the effect of the chemical concentration and solution pH on membrane chemical cleaning process. E3S Web of Conferences: International Conference Essays of Mining Science and Practice, 109 (2019). https://doi.org/10.1051/e3sconf/201910900061 [Google Scholar]

[6] Yu, X., Yi, B., Xie, Z., Wang, X., Liu, F. Prediction of the conformational property for polymers using quantum chemical descriptors. Chemometrics and Intelligent Laboratory Systems, 87(2), 247–251, (2007). https://doi.org/10.1016/j.chemolab.2007.03.001 [CrossRef] [Google Scholar]

[7] Liu, W., Yi, P., Tang, Z. QSPR Models for Various Properties of Polymethacrylates Based on Quantum Chemical Descriptors. QSAR & Combinatorial Science, 25(10), 936–943, (2006). https://doi.org/10.1002/qsar.200510177 [Google Scholar]

[8] Bureau, C., Chong, D., Lécayon, G., Delhalle, J. Accurate density functional calculation of core electron binding energies. Journal of Electron Spectroscopy and Related Phenomena, 83(2-3), 227–234, (1997). https://doi.org/10.1016/S0368-2048(96)03096-4 [Google Scholar]

[9] Naves de Brito, A., Svensson, S., Ågren, H., Delhalle, J. Experimental and theoretical study of the XPS core levels of gas phase acetonitrile, acrylonitrile and propionitrile. Model molecules for polyacrylonitrile. Journal of Electron Spectroscopy and Related Phenomena, 63(3), 239–251, (1993). https://doi.org/10.1016/0368-2048(93)87006-L [Google Scholar]

[10] Yu, X., Yi, B., Wang, X. Prediction of refractive index of vinyl polymers by using density functional theory. Journal of Computational Chemistry, 28(14), 2336–2341, (2007). https://doi.org/10.1002/jcc.20752 [CrossRef] [PubMed] [Google Scholar]

[11] Xu, J., Chen, B., Zhang, Q., Guo, B. Prediction of refractive indices of linear polymers by a four-descriptor QSPR model. Polymer, 45(26), 8651–8659, (2004). https://doi.org/10.1016/j.polymer.2004.10.057 [Google Scholar]

[12] Yang, C., Wang, B., Zhang, Y., Wang, H. Preparation and properties of polyacrylonitrile fibers with guanidine groups. Fibers and Polymers, 16(8), 1611–1617, (2015). https://doi.org/10.1007/s12221-015-4480-1 [CrossRef] [Google Scholar]

[13] Mei, Y., Yao, C., Fan, K., Li, X. Surface modification of polyacrylonitrile nanofibrous membranes with superior antibacterial and easy-cleaning properties through hydrophilic flexible spacers. Journal of Membrane Science, 417-418, 20–27, (2012). https://doi.org/10.1016/j.memsci.2012.06.021 [Google Scholar]

[14] Salaneck, W. R., Wu, C. R., Brédas, J. L., Ritsko, J. J. Electronic structure of polyacrylonitrile. Chemical Physics Letters, 127(1), 88–92, (1986). https://doi.org/10.1016/S0009-2614(86)80214-7 [Google Scholar]