Quantum chemical modeling of adsorption of thiourea derivatives, that used as inhibitors of microbiological corrosion on the iron of St3s grade of steel
Journal Title: Бюллетень науки и практики - Year 2017, Vol 3, Issue 7
Abstract
In the published work, the process of adsorption of organic derivatives of thiourea and dicarboxylic acids (thiourea class) modeled with semi-empirical ZINDO / 1, on iron (97% in steel St3, Poland) is presented. The structures of “thiourea” for the study were chosen so that the sequential complication of the molecular structure could be traced. Such an approach, as will be shown below, reflects with high accuracy the process of protection against corrosion with bacterial content by chemisorption of an organic compound on the metal surface with the formation of a complex compound. In the course of the study, the following compositions were obtained and analyzed: the compositions of the complexes obtained, global and local electro-filter values, a graph showing the dependence of the local electrophilicity of an arbitrary heteroatom taken by the author. The graph shows the equations of the obtained lines.
Authors and Affiliations
Andrei Sikachina
Keywords
Related Articles
- EP ID EP291625
- DOI 10.5281/zenodo.826469
- Views 100
- Downloads 0
Авторская методика обучения студента вуза в перспективе общества знания
В статье указаны особенности современной высшей школы в рамках глобальных тенденций современности, оказывающих влияние на подготовку специалиста. Ожидается, что выпускник университета будет знаком с методами адаптации к...
The main pests of rice and measures to counteract them
In this article, described the injuriousness of the following rice pests such as tadpole shrimps (Apus concriformis Sh.), larvae of rice weevil (Hybronomus sunnaticollis Fst), larvae of coastal flies (Ephydra macellaria...
«Прощай, немытая Россия…». К вопросу об авторстве М. Ю. Лермонтова и об особенностях аргументации, опровергающей авторство
Статья представляет собой реплику в споре об авторстве стихотворения «Прощай, немытая Россия», приписываемому М. Ю. Лермонтову. Автор находит возможным и необходимым полемизировать с антилермонтовскими версиями, которые...
Ecological adaptive selection of late-ripening cabbage in the Republic of Dagestan
Due to natural climatic, soil, agroecological conditions, the Republic of Dagestan has the opportunity to grow thermophilic and cold vegetable crops in the spring–summer and summer–autumn periods. As a result of the stud...
Nationwide values and their development in modern conditions
The article deals with the formation of national values in the context of globalization and in these circumstances, human values remain the major connecting element between people and States. It is the system of values i...