Хімія та хімічні технології
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Item Ab initio study of metalosalen complexes binding to DNA(Видавництво Львівської політехніки, 2011) Jahangiri Lahkani Marjane; Ghassemi Ghassem; Sohrabi Nasrin; Rasooli NahidGeometry optimizations of metal complexes of Salen(bis(Salicylidene)1,2-ethylenediamine) were carried out at HF(Hartree-Fock) and DFT(Density Functional Theory) methods employing Lanl2DZ basis set. In this work structural,energies, bond lengths and other physical properties between Mn2+,Cu2+ and Ni2+ ions coordinated by salen–type ligands are examined. All calculations were performed using Gaussian 98W program series. To investigate local aromaticities, NICS(Nucleous Independent Chemical Shift) were calculated at all centers of rings. The higher the band gap indicating a higher global aromaticity. The possible binding energies have been evaluated. We have evaluated Frequencies and Zeropoint energy with freq calculation. The NICS Results show Ni(II) complexes are antiaromatic and aromaticites of Mn(II) complexes are larger than Cu(II) complexes. The energy Results show Cu(II) complexes are stability than Mn(II) and Ni(II) complexes.Item About radioactive waste disposal facility Buryakovka(Видавництво Львівської політехніки, 2013) Koliabina, Daria; Beznosyk, YuriyFor over forty years now, many countries have been developing near surface facilities for the disposal of low and intermediate radioactive waste (LILW) generated within the nuclear fuel cycle and from the use of radioactive sources for different purposes. In line with the internationally agreed principles of radioactive waste management and the related safety standards, the safety of these facilities needs to be ensured during all stages of their lifetime, including the postclosure period. Today Buryakovka is still being operated but its capacity of approximately 690,000 m3 is nearly reached: Extrapolating the current disposal rate the remaining capacity might be exhausted before the end of 2013.Item Acrylic and Methacrylic Acids Obtaining by Gas-Phase Aldol Condensation of Carbonyl Compounds on B2O3–P2O5–WO3–V2O5/SiO2 Catalysts(Видавництво Львівської політехніки, 2013) Nebesnyi, Roman; Petelka, Oksana; Shpyrka, IrynaProspects of acrylic acid obtaining by acetic acid aldol condensation with formaldehyde are considered. Complex oxide catalysts of the process have been developed. It is shown that raw materials costs in case of acrylic acid production by the condensation method are commeasurable with those in case of its production by oxidation method (main industrial method of acrylic acid production).This method of acrylic acid obtaining may be used as an alternative and enables diversifying the raw materials base of acrylic monomers production. It is shown that the developed catalyst is also efficient in propionic acid aldol condensation with formaldehyde to methacrylic acid.Item Adsorption mechanisms in a view of DFT and clustering-based models(Видавництво Львівської політехніки, 2013) Ziółkowska, Magda; Duda, Jan T.; Milewska-Duda, JaninaThe paper describes two approaches to mathematical description of adsorption mechanisms aimed at identification of materials porous structure, i.e. the Density Functional Theory (DFT) and the clustering based theory of adsorption (uniBET). Essential assumptions of the both theories, concerning the pore structure description, are compared and application areas are outlined for them.Item Analysis of the Phase Equilibrium Conditions and the Impact of Coupled Heat and Mass Transfer on the Separation Process Efficiency in the Inertial – Filtering Gas Separator(Видавництво Львівської політехніки, 2013) Liaposhchenko, Oleksandr; Nastenko, OlhaAnalysis of the Phase Equilibrium Conditions and the Impact of Coupled Heat and Mass Transfer on the Separation Process Efficiency in the Inertial – Filtering Gas SeparatorItem Anodes For a Trivalent Chromium Electroplating Bath(Видавництво Львівської політехніки, 2013) Kasian, Olga; Velichenko, AlexanderElectrochemical behavior of different anode materials in electrolytes containing trivalent chromium salts was investigated. It was found that current efficiency of Сr(VI)-species strongly depends on the nature of anode material. Some of Ti/Pt electrodes were shown to be n-type semiconductors. Composite materials based on platinized titanium are recommend as anodes for carbamide-containing electrolytes since they characterized by good service life and admissible values of current efficiency of Сr(VI)-species.Item Artificial Tobermoryte as Raw Material for Low Temperature Burning(Видавництво Львівської політехніки, 2013) Borovets, Zenon; Pona, Myron; Kobryn, OlesiaAbstract – The possibility and condition of wollastonite synthesis by two-stage technology which foresees the receive of intermediate phase in a form of calcium hydrosilicate (tobermorite 11,3 Ǻ) on the stage of hydrothermal treatment with its further burning to β-СаО∙SіO2 were investigated. The influence of forms of SiO2 and consistency of raw material mixture on the output of synthetic wollastonite was studied. The mineralising effect of boron oxide on the formation of wollastonite was established.Item Automated Control and Monitoring Systems for Technological Processes in Ammonium Nitrate Production(Видавництво Львівської політехніки, 2013) Dovgalov, Leonid; Ushakova, Olena; Shylin, SergiiTwo automated control and monitoring systems for the neutralization process in ammonium nitrate production have been elaborated. The methods are based on the dependence of measuring electrode potential on the concentration of nitric acid and ammonia in a neutralizer. The systems have been shown to be efficient in wide concentration and temperature ranges. In this paper, the monitoring system for the concentration of water in ammonium nitrate melt has been also presented. The proposed systems has been tested in industry and implemented into production.Item Biochemical Processes in Oil-Contaminated Soil in Relation to Phytoremediation(Видавництво Львівської політехніки, 2013) Mekich, M.; Dzhura, N.; Terek, O.The usefulness of biochemical data in monitoring phytoremediation efficiency was studied. The oxidation enzymes activity and soil respiration were sensitive to soil oil pollution and plants cover.Catalase and dehydrogenase activity of oil-contaminated soil were stimulated by Zea mays L. vegetation, whereas the effect of Viciafaba L. was less significant.Item Bitumen emulsions based on Ukrainian surface-active substances(Видавництво Львівської політехніки, 2013) Pyshyev, Serhiy; Grytsenko, Yuriy; Koval, TetyanaBitumen emulsions can be obtained based on surface-active substances (SAS) according to DSTU B V.2.7- 129:200 produced at JSC “Barva” (Ukraine). These emulsions meet the demands of mentioned standard relative to sieve residue homogeneity, storage quality after 7 and 14 days and conventional viscosity at 25 C.Item Carbon nano-onions in composites: properties and application(Видавництво Львівської політехніки, 2011) Breczko, Joanna; Płońska-Brzezińska, Marta; Winkler, Krzysztof; Echegoyen, LuisA novel type of a composite made of small carbon nanoonions (CNOs) with poly(diallyldimethylammonium chloride) (PDDA) or chitosan (CHIT) was prepared and its electrochemical properties were investigated by cyclic voltammetry and electrochemical impedance spectroscopy. Solid composite films were prepared on the glassy carbon electrode surface by solvent evaporation from drop of solution containing CNOs with the filler (PDDA or CHIT). They form relatively porous structures, which exhibit typical capacitive behaviour, as well as excellent mechanical and electrochemical stability over a wide potential window. Better properties of the PDDA/CNOs and CHIT/CNOs composites in comparison with pure CNOs are hoped to allow them to be used in electrochemical sensing. Electrochemical properties of PDDA/CNOs film in PBS solution were examined and their ability to dopamine determination was verified. The composite can be applied not only to determination of a dopamine in a presence of ascorbic acid (AA) and uric acid (UA), but also let for simultaneous assays for all three biomolecules in the same solution.Item Catalytic Cooligomerization of Terpenic and Aromatic Hydrocarbons(Видавництво Львівської політехніки, 2013) Gnativ, Zoriana; Rypka, Anna; Voronchak, Taras; Nykulyshyn, IrenaMain regularities of cationic cooligomerization of terpenic hydrocarbons, being contained in turpentine, and aromatic hydrocarbons, being contained in C9 fraction of diesel fuel pyrolysis liquid products, have been found out. Homogeneous complex of aluminium chloride with ethyl acetate in organic solvent (xylene) has been suggested as a new efficient catalyst of the process.Item Catalytic Cyclohexane Oxidation In The Presence Of Alcohols Of Different Nature(Видавництво Львівської політехніки, 2013) Suprun, Oleksandr; Reutskyy, Viktor; Ivashchuk, Oleksandr; Mudryy, SergiyQuantitative and qualitative influence of binary catalytic systems [cobalt naphthenate – alcohol] in liquidphase homogeneous-catalytic oxidation of cyclohexane was considered.Item Change of electrochemical properties of amorphous metallic alloys by thermomagnetic modification(Видавництво Львівської політехніки, 2013) Pereverzeva, T.; Hertsyk, O.; Kovbuz, M.; Boichyshyn, L.; Vovk, M.-M.; Kulesha, M.It was investigated influence of modification amorphous alloys based on cobalt and ferrum by variable magnetic field and heat treatment on their corrosion behavior in aggressive environment using electrochemical methods.Item Colorimetric Determination Of Ascorbic Acid Using PaperTest Strips And ScannerTechnology(Видавництво Львівської політехніки, 2013) Petrushina, Galina; Tsiganok, Ludmila; Vishnikin, AndriyDependence of R, G, B color coordinates measured for paper test strips impregnated with 18-molybdo-2-phosphate heteropoly complex on the concentration of ascorbic acid has been studied. A rapid and simple method for colorimetric determination of ascorbic acid has been developed.Item Comparison of extraction methods for the determination of essential oil content and composition of lavender leaves(Видавництво Львівської політехніки, 2013) Adaszyńska-Skwirzyńska, Michalina; Śmist, Małgorzata; Swarcewicz, MariaIn this paper, comparison of the volatile components composition in the samples obtained by hydrodistillation of Lavandula angustifolia leaves is described. The comparison of the lavender essential oil obtained by hydrodistillation in the Deryng and Clevenger type apparatus, according to the pharmacopoeial methods (FP VI and VII), showed the presence of the same terpenoids in both essential oils, however, the relative percentage composition of the components were different. The oils contain 37 identified compounds, of which the main are: borneol and caryophyllene oxide. Most of the compounds identified in the oils belong to monoterpenoids group (61.9-71.09%). The essential oils yields, measured after distillation according to Polish Pharmacopoeia VI (Deryng apparatus, 3 h) and VII (Clevenger type apparatus, 2 h), were the same and amounted to 0.45% v/w.Item Cинтез і електричні властивості композитів стиромаль – поліортотолуїдин(Видавництво Львівської політехніки, 2011) Рій, Уляна; Дутка, Володимир; Аксіментьєва, ОленаСинтезовано електропровідні композити стиромалю з поліортотолуїдином. Показано, що в ході окислювальної поліконденсації о-толуїдину стиромаль суттєво впливає на швидкість процесу утворення поліортото-луїдину. Досліджено залежність питомого опору отриманих композитів від їх складу і показано, що така залежність має перколяційний характер. На основі температурної залежності питомого опору отриманих композитів зроблено висновок, що стиромаль не змінює напівпровідникового характеру провідності композиту, але спричиняє зростання енергії активації перенесення заряду. Згідно даних оптичної мікроскопії електропровідний полімер у матриці стиромалю формує власні канали провідності, які при збільшенні концентрації поліортотолуїдину ведуть до утворення розгалуженої фібрильної структури композиту. Значення питомої електропровідності композитів дозволяють рекомендувати їх для отримання антистатичних покрить.Item D3-трисгомокубілалканаміни – нові інгібітори М2 каналу вірусу грипу(Видавництво Львівської політехніки, 2011) Ковальчук, Ігор; Жигадло, Євгенія; Гайдай, Олександр; Левандовський, Ігор; Шубіна, ТетянаПошук діючих речовин проти новіх резистивних штамів вірусу грипу є однією з важливих задач сьогоденя. Проведений молекулярний докінг по М2 каналу вірусу грипу показав що D3 трисгомокубанові аналоги ремантадину можуть проявляти кращу активність ніж сам ремантадин. З метою підтвердження розрахунків для перевірки противірусної активності було розроблено ефективний медод одержання амінів виходячи із D3-трисгомокубанової кислоти.Item Developing technology of remediation of oil-contaminated soils(Видавництво Львівської політехніки, 2013) Shevchyk, Lesya; Romaniuk, OlgaAbstract – The results of developing technologies for cleaning of soils from oil pollution on the example of Boryslav are shown. The prospects of tree species for the remediation of oil-contaminated soils are studied. The best results of cleaning oil contaminated soils with the application of Hippophae rhamnoides L. plants were obtained. It is a promising measure for restoring the oil-contaminated soils, attractive both from environmental and economical point of view.Item Disinfection of water with ultrasound in the atmosphere of different gases(Видавництво Львівської політехніки, 2013) Predzymirska, Lesya; Shevchuk, LiliyaThe article investigates the influence of various gases on the destruction of microorganisms under the ultrasonic treatment of water. It is shown that, depending on the nature of the gas, which saturate investigated water, achieved vary in degrees of inactivation of microorganisms. Based on experimental data suggested the joint usage of ultrasound with nitrogen flushing is the most effective agent for the process of purification of natural water.