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

2020 ◽  
Vol 168 ◽  
pp. 00032
Author(s):  
Mykola Nechytailo ◽  
Olena Nahorna ◽  
Olena Nesterova

In the process of water purification to increase the reflective capacity of ultrafiltration membranes, their surface modification is applied with aluminium oxychloride and polyhexamethylene guanidine hydrochloride are used. This enables to extract organic contaminations at 90% level, not less their salt balance. To estimate the reaction capacity, the method of calculation of energetic parameters and structural characteristics with the help of chemical analysis quanta is applied. For the analysis, the semiempirical method of modified neglect of diatomic overlapping is used. The prospective estimation of gel layer formation on the membrane surface is made. The method of molecular mechanics is applied in quantumchemical calculations for each substance and the material of the membrane. While analyzing the interaction between the material of the membrane and membrane-forming supplement, the charges on molecules` atoms, the determination of energetic levels of the lower vacant and upper filled molecular orbitals and energetic gap are estimated. It was proved that aluminium oxychloride precipitates on the membrane surface due to Van der Waltz forces, and the inoculation of polyhexamethylene guanidine occurs at fiber functionalization through the formation of hydrogen type of bond between the groups С≡N polymer and =N-H group. Scientific substantiation of membrane modification was obtained.

2018 ◽  
Vol 11 (2) ◽  
pp. 164-172
Author(s):  
О.A. Yessimova ◽  
◽  
А.О. Adilbekova ◽  
M.Zh. Kerimkulova ◽  
G.D. Isenova ◽  
...  

Author(s):  
Анна Нориковна Адамян ◽  
Алена Константиновна Кучурова ◽  
Александра Ивановна Иванова ◽  
Максим Дмитриевич Малышев ◽  
Виктор Анатольевич Герасин ◽  
...  

Выполнены реологические, структурные и антибактериальные исследования гидрогелей, получаемых на основе L-цистеина, ацетата серебра и полигексаметиленгуанидин гидрохлорида (ПГМГ-ГХ). Установлено, что водные растворы на основе L-цистеина и ацетата серебра хорошо смешиваются с водным раствором ПГМГ-ГХ, образуя прозрачные гидрогели. Предложена модель строения пространственной сетки геля. Показана высокая антимикробная активность гидрогеля по отношению к тест-культурам патогенных и условно-патогенных микроорганизмов. Rheological, structural, and antibacterial studies of hydrogels based on L-cysteine, silver acetate, and polyhexamethylene guanidine hydrochloride (PHMG-GC) have been carried out. It was found that aqueous solutions based on L-cysteine and silver acetate mix well with an aqueous solution of PHMG-GC, forming transparent hydrogels. A model of the structure of the spatial grid of the gel is proposed. High antimicrobial activity of the hydrogel was shown in relation to test cultures of pathogenic and opportunistic microorganisms.


Author(s):  
S. Stelmakh ◽  
M. Grigor’eva ◽  
N. Garkusheva ◽  
D. Mognonov ◽  
V. Batoev

N-phenyl- and N-octyl-substituted derivatives of polyhexamethylene guanidine hydrochloride were synthesized and their antimicrobial activity against nosocomial infections was determined.


Author(s):  
Isadora Martini GARCIA ◽  
Stéfani Becker RODRIGUES ◽  
Vicente Castelo Branco LEITUNE ◽  
Fabrício Mezzomo COLLARES

2019 ◽  
Vol 109 ◽  
pp. 00061
Author(s):  
Mykola Nechytailo ◽  
Olena Nahorna ◽  
Yevhenii Kosiuk

In the process of treating natural water from surface sources, precipitated substances are tend to be deposited on the ultrafiltration membrane, either as suspended solids or as gel structures, formed by humic substances with metal salts. Hydraulic washes are unable to remove gelled structures from the surface of the membranes. Consequently, the phenomenon of gelation on the surface of the membrane causes gradual decrease in productivity, which is a negative factor. Chemical washing of membranes is generally used to remove the gel layer from the membrane surface. In this paper, the range of compositions which effectively remove complex contaminants is proposed, and also the efficacy of both pH and changes in the concentration of active substances on the process of washing the membrane are analyzed.


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