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Abstrakty
The reversible reactions between nitrogen dioxide and alcohols (CH3OH, CH3CH2OH, CH3CH2CH2OH, CH3CHOHCH3) have been studied in the gas phase, using the spectrophotometric method.RONO(R = CH3, CH3CH2, CH3CH2CH2, CH3CHCH3) were identified by UV spectra. The equilibrium constants as well as the bimolecular rate constants were determined by computer modeling, using the programme MINICHEM. We calculated the following values for the forward rate constants k3 av : (3.0_0.9)x10-18, (8.0+-2.4)X10-18, (5.4+-1.6)_10-18, (2.0+-0.6)x10-18 cm3 molec-1 s-1 and the equilibrium constants Kav: 100+-30, 40+-12, 109+-33, 39+-12 at 298 K for the reactions with methanol, ethanol, 1-propanol and 2-propanol, respectively. The temperature dependence of the rate constants and the equilibrium constants were studied and it allowed to obtain the activation energy for the forward and for the reverse reaction, as well as thermochemical parameters. The equilibrium constants and the rate constants suggest that symmetrical N2O4 is the reactive species.
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Rocznik
Tom
Strony
1301--1313
Opis fizyczny
Bibliogr. 31 poz., rys.
Twórcy
autor
- Department of Physical Chemistry, Wrocław Medical University, Pl. Nankiera 1, 50-140 Wrocław, Poland
autor
- Department of Physical Chemistry, Wrocław Medical University, Pl. Nankiera 1, 50-140 Wrocław, Poland
autor
- Department of Physical Chemistry, Wrocław Medical University, Pl. Nankiera 1, 50-140 Wrocław, Poland
Bibliografia
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- 25.Kirkegaard P., Bjergbakke E. and Rasmussen O.L., MINICHEM Version OCT 2002, Ris0 National Laboratory.
- 26.DeMore W.B., Sander S.P., Golden D.M., Molina M.J., Hampson R.R, Kurylo M.J., Howard C.J. and Ravishankara A.R., Chemical Kinetics and Photochemical Data for Use in Stratospheric Modeling, Evaluation No. 9, Jet Propulsion Laboratory, Pasadena, CA 1990.
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Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-article-BUJ3-0002-0142