• Acquire
Hide↑
Journals →  Obogashchenie Rud →  2011 →  #1 →  Back

THEORY OF PROCESSES
ArticleName Alkyl hydroxamic acids molecular models and molecular orbitals
ArticleAuthor Solozhenkin P. М., Solozhenkin О. I.
ArticleAuthorData Solozhenkin Petr Mikhaylovich, Senior Researcher, solozhenkin@mail.ru, Research Institute of Comprehensive Exploitation of Mineral Resources RAS (Russia); Solozhenkin Oleg Igorevich, Student, oleg.solozhenkin@gmail.ru, Institute of Bioorganic Chemistry, RAS (Russia).
Abstract
Alkyl hydroxamic acids three-dimensional molecular models are constructed. Main parameters of total steric bonding energy, charge distribution on separate atoms, Van der Waals interaction and dipole interaction were determined by means of computer software. Molecular orbitals are constructed, and their energy levels are calculated. Use of physicochemical pre-sentation and computer-aided design is a promising trend in selection and application of more effective reagents with a view to solve problems related to ores all-round utilization.
keywords Molecular models, flotation reagents, computer-aided design, charge distribution.
References

1. Solov’yev M. E., Solov’yev M. M. Komp’yuternaya khimiya (Computer chemistry), Moscow, Solon-Press, 2005, 536 p.

2. Roshchupkin S. I.Khimiya: metodika prepodavaniya — Chemistry. Teaching methods, 2004, No 1, pp. 46–58.

3. Solozhenkin P., Solozhenkin O. Proc. 14th Conf. on Environment and Mineral Processing ,June 3–5, 2010, VSB-TU Ostrava, Czech Republic, Pt II, pp. 51–56.

4. Solozhenkin P. M., Solozhenkin O. I. Tsvetnye metally — Non-ferrous metals, 2010, No 7, pp. 11–14.

5. Solozhenkin P. M., Solozhenkin O. I. Obogashcheniye Rud, 2010, No 4, pp. 31–34.

6. Girevaya Kh. Ya. Povysheniye effektivnosti flotatsii gazovykh ugley na osnove kvantovo-khimicheskogo obosnovaniya reagentov: avtoref. diss. … kand. tekhn. nauk (Efficiency upgrading of gas coal flotation based on reagent quantum-chemical foundation. Author's Abstract of Candidate Dissertation). Magnitogorsk, 2006.

7. Medyanik N. L., Girevaya Kh. Ya., Varlamova I. A. Koks i khimiya — Coke and Chemistry, 2006, No 1, pp. 8–13.

8. Khan G. A., Gabriyelova L. I., Vlasova N. S. Flotatsionnye reagenty i ikh primeneniye (Flotation reagents and their use), Moscow, Nedra, 1986, 271 p.

9. Ryaboy V. I. Obogashcheniye Rud, 2008, No 6, pp. 24–30.

10. Ryaboy V. I. Obogashcheniye Rud, 2002, No 1, pp. 19–23.
Language of full-text russian
Full content Buy
Back