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INFORMATION ON DOCTORAL THESIS
1. Full name: Vu Minh Tan 2. Sex: Male
3. Date of birth: January 4th, 1976 4. Place of birth: Thai Binh Province
5. Admission decision number: 150/SĐH, July 6th, 2005
6. Changes in academic process: Decision No 1984/QĐ-SĐH date 10th July 2008 by the Headmaster of Hanoi University of Science approved the extension time of 12 months to complete the dissertation.
7. Official thesis title: Study of relationship between molecular structure and corrosion inhibition efficiency of some hydrazone compounds
8. Major: Theoretical Chemistry and Physical Chemistry 9. Code: 62 44 31 01
10. Supervisors: Ass. Prof. Dr. Pham Van Nhieu, Prof. Dr. Nguyen Minh Thao
11. Summary of the new findings of the thesis:
+ The quantum chemical parameters of 105 hydrazone compounds have been calculated using AM1 semi-empirical method attached to HyperChem 7.0 software, the changing rule of quantum chemical parameters of these substances has also been examined (charge density, molecular area, molecular volume,…) in order to orient for synthesizing substances that have high corrosion inhibition efficiency. As the results of calculating of quantum chemical parameters, the values of charge density on oxygen and nitrogen atoms of hydrazones in which methyl and hydroxy substituted groups are the highest following by chloro and bromo substituted groups. The smallest is nitro substituted group.
+ From the calculating results of quantum chemical parameters, we have synthesized 25 hydrazones that have high corrosion inhibition efficiency. Structures of these compounds are determined by infrared spectroscopy (IR), mass spectroscopy (MS) and 1H-NMR spectroscopy.
+ Corrosion inhibition efficiency of above compounds has been measured using 2 methods: weight loss and electrochemical method. Results of these methods are similar and show that compounds of CI.11, CI.15, CI.21 have the highest corrosion inhibition efficiency.
+ Base on results of corrosion inhibition efficiency and quantum parameters calculated from HyperChem 7.0 software, we have established regression equation showing the relationship between corrosion inhibition efficiency and molecular structure parameters of hydrazones, in which equation (25) is regression equation that has the most agreeable with experimental result (R² = 0,9935)
P = - 2046,2676 – 123,4223ELUMO + 100,3483EHOMO – 2783,7135ZN1
– 7111,6298ZN2 – 1887,9686ZO1 – 766,3528ZO2 + 0,9743S – 0,7394V
The regression equation shows that the charge density on adsorption centers of N, O; the lowest unoccupied molecular orbital energy (ELUMO); the highest occupied molecular orbital energy (EHOMO) and molecular area (volume) are factors that influence corrosion inhibition efficiency of hydrazone compounds.
+ Corrosion inhibition efficiency of hydrazones depends much on charge density on adsorption centers of molecule. The result shows that the more pushed electron groups (-CH3, -OH) in molecule there are, the larger charge density at adsorption centers is and the higher corrosion inhibition efficiency of substances is. Hydrazone containing substituted group of –OH, -CH3 at para position has the best corrosion inhibition efficiency.
12. Practical applicability: From the results of study, we have discovered hydrazones that have high corrosion inhibition efficiency of metals.
13. Further research directions: Study of another hydrazones that have high corrosion inhibition efficiency.
14. Thesis-related publications:
1. Pham Van Nhieu, Vu Minh Tan, Nguyen Minh Thao (2004), Study of relationship between electronic structure and corrosion inhibitor efficiency of some 2-hydroxyacetophenone aroyl hydrazone compounds, Vietnam Journal of Biological, Physical and Chemical Analysis, No.2, pp.42-49.
2. Nguyen Minh Thao, Vu Minh Tan, Pham Van Nhieu (2004), Synthesis of some hydrazones from hydrazides of benzoic acids substituting with o-hydroxyacetophenone, Vietnam Journal of Chemistry, No.3, pp.311-314.
3. Pham Van Nhieu, Nguyen Van Son, Vu Minh Tan (2007), Study of relationship between electronic structure and corrosion inhibition efficiency of some-2-hydroxy-5-methylacetophenone aroyl hydrazone compounds, Vietnam Journal of Biological, Physical and Chemical Analysis, No.3, pp.34-37.
4. Pham Van Nhieu, Nguyen Minh Thao, Nguyen Thi Kim Tuyet, Vu Minh Tan (2007), Synthesis of some 2-hydroxy-3-methylacetophenone aroyl hydrazone compounds, The 4th National Organic Chemistry Sciences and Technology Conference, Hanoi, pp.165-168.
5. Pham Van Nhieu, Vu Phuong Lien, Vu Minh Tan (2007), Electronic structure of some 2,5-dihydroxyacetophenone aroyl hydrazone compounds and their corrosion inhibitors efficiency, Vietnam Journal of Analytical Sciences, No.4, pp.32-37.
6. Pham Van Nhieu, Nguyen Minh Thao, Nguyen Van Son, Vu Minh Tan (2007), Synthesis of some 2-hydroxy-5-methylacetophenone aroyl hydrazone compounds, The 4th National Organic Chemistry Sciences and Technology Conference, Hanoi, pp.169-173.
7. Vu Minh Tan, Pham Van Nhieu, Nguyen Minh Thao, Nguyen Hai Yen (2008) Syndissertation of some benzoyl hydrazone of 2-acetyl-1-hydroxy naphthalene derivatives, Vietnam Journal of Analytical Sciences, No.4, pp.35-37.
8. Pham Van Nhieu, Vu Minh Tan, Do Thuy Linh (2008), Study on relationship between electronic structure and corrosion inhibitors efficiency for copper dissolution in nitric acid solution of some 2,5-dihydroxyacetophenone benzoyl hydrazone derivatives, Vietnam Journal of Chemistry, No.6, pp.744-748.
9. Vu Minh Tan, Pham Van Nhieu, Vu Phuong Lien (2008), Synthesis of some 2,5-dihydroxyacetophenone aroyl hydrazone derivatives, Vietnam Journal of Analytical Sciences, No.2, pp.23-26.
10. Pham Van Nhieu, Vu Minh Tan, Nguyen Minh Thao, Do Thuy Linh (2008), Syndissertation of some 2,4-dihydroxyacetophenone benzoyl hydrazone derivatives, Vietnam Journal of Chemistry, No.5, pp.625-629.
11. Vu Minh Tan, Pham Van Nhieu, Nguyen Thi Kim Tuyet (2008), Study on relationship between electronic structure and corrosion inhibitors efficency of some 2-hydroxy-3-metylacetophenone benzoyl hydrazone compounds, Vietnam Journal of Analytical Sciences, No.2, pp.19-22.
12. Vu Minh Tan, Pham Van Nhieu, Tu Thi Minh Phuong (2009), Study of relationship between electronic structure and corrosion inhibitor efficiency of some 2-hydroxy-4-methylacetophenone benzoyl hydrazone compounds, Vietnam Journal of Chemistry, No.2, pp.149-153.
Date: 9th October 2009
Signature:
Full name: Vu Minh Tan
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