Advances in Natural Science
Effect of External Electric Field upon Lower Alkanols
Abstract
Applying the Monte Carlo method, molecules of methanol, ethanol and 1-butanol are brought to temperature of 300 K and under the influence of external electric field of 0.01 a.u their electronic spectra are simulated with HyperChem 8.0 involving ZINDO/S semiempirical method. Particular molecules differently react to the electric field applied as shown by the electronic spectra simulated in the range of 250-2.84 nm. Total energy of the methanol and ethanol molecules turn slightly more negative in the electric field whereas that energy found for 1-butanol more significantly turn to less negative. HyperChem 8.0 software is used together with the AM1 method for optimization of the conformation of the molecules of methanol, ethanol, 1-propanol and 1-butanol. Then polarizability, charge distribution, potential and dipole moment for molecules placed in the external electric field of 0.000, 0.001, 0.01 and 0.05 a.u. are calculated. External field induces a slightly field strength dependent polarizability of the molecules and the electron density redistribution at particular atoms. Total dipole moment (DM) for particular alkanols increases with the strength of the field applied. There is particularly sharp increase in DM at 0.05 a.u. field.
Key words: Butanol; Computer simulations; Ethanol; Methanol; Propanol
Keywords
References
[1] Ambroziak, W., & Pietruszko, R. (1993). Metabolic Role of Aldehyde Dehydrogenase. Advances in Experimental Medicine and Biology, 328, 5-15.
[2] BAO, Q., ZHANG, H., & PAN, C. (2006). Electric-field-induced Microstructural Transformation of Carbon Nanotubes. Applied Physics Letters, 89, 063124-062128.
[3] Berry, M. N., Grivel. A. R., & Phillips, J. W. (1993). Hypothesis: The Electrochemical Regulation of Metabolism. Pure and Applied Chemistry, 65, 1957-1962.
[4] Brzozowski, K., Łęgowska, A., Rodziewicz-Motowidło, S., Liwo, S., & Rolka, K. (2002). The Study of Conformational Equilibrium of [Glu-Trp-Gly-Leu-Met], a NK-2 Tachykinin Antagonist. Polish Jouranl of Chemistry, 76, 807-814.
[5] Crabb, D. W., Bosron, W. F., & Li, T. K. (1987). Ethanol Metabolism. Pharmacology and Therapeutics, 34, 59-73.
[6] Fiedurek, J. (1999). Influence of Pulsed Electric Field on the Spores and Oxygen Consumption of Aspergillus Niger and Its Citric Acid Production. Acta Biotechnologica, 19, 179-186.
[7] Goldman, M., Goldman, A., & Sigmond, R. S. (1985). The Corona Discharge, Its Properties and Specific Uses. Pure and Applied Chemistry, 57, 1353-1362.
[8] Grosse, H. H., Bauer, E., & Berg, H. (1988). Electrostimulation During Fermentation. Bioelectrochemistry and Bioenergetics, 20, 279-285.
[9] Harada, A., & Kataoka, K. (2003). Switching by Pulse Electric Field of the Elevated Enzymatic Reaction in the Core of Polyion Complex Micelles. Journal of the American Chemical Society, 125, 15306-15307.
[10] Korotkov, K. G. (2007). Principles of Analysis in GDV Bioelectrophotography (in Russian). Skt. Petersburg: Renome.
[11] Mazurkiewicz, J., & Tomasik, P. (1996). Perestroika Effect: A Novel Example of Electroviscosity. Bulletin of the Chemical Society of Belgium, 105, 173-180.
[12] Mazurkiewicz, J., & Tomasik, P. (2010). Contribution to Understanding of Weak Electrical Phenomena. Natural Sciences, 2, 1195-1202.
[13]Mazurkiewicz, J., & Tomasik, P. (2012). Effect of External Electric Field upon Charge Distribution, Energy and Dipole Moment of Selected Monosaccharide Molecules. Natural Sciences, 4, 278-285.
[14] Monkman, G. J. (1995). The Electrorheological Effect Under Compressive Stress. Journal of Physics D, 28, 588-595.
[15] Nakanishi, K., Tokuda, H., Soga, T., Yoshinaga, T., & Takeda, M. (1988). Effect of Electric Current on Growth and Alkohol Production by Yeast Cells. Journal of Fermentation and Bioengeneering, 85, 250-253.
[16] Nechitailo, G., & Gordeev, A. (2001). Effect of Artificial Electric Fields on Plants Grown Under Microgravity Conditions. Advances in Space Research, 28, 629-631.
[17] Stangroom, J. E. (1983). Electrorheological Fluids. Physics in Technology, 14, 290-297.
[18] Stanway, R., Sproston, J. L., & El-Wahed, A. K. (1996). Applications of Electro-rheological Fluids in Vibration Control: A Survey. Smart Materials and Structures, 5, 464-482.
[19] Tam, W. Y., YI, G. H., WEN, W., MA, H., & SHENG, P. (1997). New Electrorheological Fluid: Theory and Experiment. Physical Review Letters, 78, 2987-2990.
[20] Tiessie, J., Knox, B. E., Tsong, T. Y., & Wehrle, J. (1981). Synthesis of Adenosine Triphosphate in Respiration-inhibited Submitochondrial Particles Induced by Microsecond Electric Pulses. Proceedings of the National Acadademy of Sciences USA, 78, 7473-7477.
[21] WEN, W., HUANG, X., YANG, S., LU, K., & SHENG, P. (2003). The Giant Electrorheological Effect in Suspensions of Monoparticles. Nature Materials, 2, 727-730.
[22] Wescott, E. M., Sentman, D. D., Heavner, M. J., Halliman, F. J., Hampton, D. L., & Osborne, D. L. (1996). The Optical Spectrum of Aircraft St. Elmo’s Fire. Geophysical Research Letters, 23, 3687-3690.
[23] Winslow, W. M. (1949). Induced Filtration of Suspensions. Journal of Applied Physics, 20, 1137-1141.
DOI: http://dx.doi.org/10.3968/j.ans.1715787020120504.2019
DOI (PDF): http://dx.doi.org/10.3968/g3318
DOI (indexed/included/archived): http://dx.doi.org/10.3968/g4597
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