Chemistry & Chemical Technology. – 2014. – Vol. 8, No. 2

Permanent URI for this collectionhttps://ena.lpnu.ua/handle/ntb/25168

The scientific-technical journal

It is the scientific-technical journal in English in Ukraine discussing actual problems of chemistry and chemical technology. Compared with other chemical journals Ch&ChT is publishing materials of both theoretical and practical values in such fields as analytical, general organic, physical and inorganic chemistry; chemistry of high molecular compounds; materials science and engineering; chemical kinetics and catalysis; technology of inorganic substances; technology of organic synthesis products; chemical technology of processing of combustible minerals; processes and apparatus of chemical and food productions; biotechnology and ecology.

Chemistry & Chemical Technology : [the scientific-technical journal] / Lviv Polytechnic National University ; editor-in-chief M. Bratychak. – Lviv : Publishing House of Lviv Polytechnic National University, 2014. – Volume 8, number 2. – P. 117–242, I : ill.

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Author: search.filters.author.Chygyrynets’, ElenaSubject: search.filters.subject.квантово-хімічні розрахунки

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    A study of rape-cake extract as eco-friendly vapor phase corrosion inhibitor
    (Publishing House of Lviv Polytechnic National University, 2014) Chygyrynets’, Elena; Vorobyova, Victoria
    Rape-cake extract was developed as novel volatile corrosion inhibitors. Its volatiles were analysed by GC-MS. A semi empirical approach was used to rationalize the rape-cake extract inhibitory action. The molecular spatial structure, energy gap and density of extract main compounds have been theoretically investigated using HyperChem7.00.Екстракт шроту ріпаку досліджений як новий леткий інгібітор атмосферної корозії сталі. Методом газової хромато-мас-спектрометрії отримано компонентний склад його летких фракцій. З використанням програми HyperChem7.00 були проведені квантово-хімічні розрахунки основних компонентів екстракту.