Kinetics of the photodissociation iodine laser with slow pumping

Systematic calculations of maximum inversion were performed for iodine photodissociation laser in dependence on the mixture composition. The flash-lamp radiation was modelled as emanating from an optically thin Xe plasma. Duration of the pumping pulse is about 300 s. The sensitivity of the model to the values of kinetic constants was also tested.     

Selective hydrogenation of the vinyl group of 1-vinylpyrroles

The hydrogenation of 1-vinylpyrroles over Raney nickel in ethanol at 50–90°C proceeds exclusively at the 1-vinyl group and leads to the formation of 1-ethylpyrroles in 80–90% yields. The IR and PMR spectra are presented.Translated from Khimiya Geterotsilicheskikh Soedinenii, No. 2, pp. 215–216, February, 1077.     

Modelling of the processes of ultrafine SiO2 production under thermal plasma conditions

The production of ultrafine silica particles is examined by modelling the processes in a flow plasma reactor. The model is based on the authors' experimental data on silica sand processing by use of thermal arc plasma. The free-molecular coagulation is assumed to be the dominant process for particle growth. This is carried out at fast cooling of the vapour, during its mixing with oxygen. The particle size distribution functions are calculated, and the influence of the chemical monomer generation and the mixing on their behavior is investigated. Comparison of the calculated and the experimental mean particle size is made.List of symbols C _nl collision frequency function, cm³/s - d _m mean median diameter, nm - F _LN(d) integral form of the particle size distribution function,% - g(t) mixing function - k Boltzmann's constant - k ₁,k,k rate coefficients, cm³/s - k ₂,k ₃ rate coefficiens, cm⁶/s - m mass of the monomer, g - M number of groups - T absolute temperature, K - T ₀ temperature of the hot vapour, K - T _E temperature of SiO₂ condensation, K - t time, s - t _m mixing time, s - t _c colling time, s - z ₀ monomer concentration, cm^–3 - z _n ,z _l concentrations of particles in groups, cm^–3 - z _n total number concentration of particles (n=0, 1, M), cm^–3 - z _n /(z _n )(log d _n+1 –logd _n) differential form of particle size distribution function - w _i reaction rates (i=1, 2, 3), cm^–3/s - , cooling rates, K/s - coefficient of proportionality - _SiO conversion rate of SiO,% - coefficient determined from the cooling rate, s^–1 - mass density of the particles, g/cm³ - standard deviation The authors gratefully acknowledge Prof. L. S. Polak from the Institute of Petrol Chemical Synthesis, Russian Academy of Science, for helpful discussions.     

Quantum-chemical study on reactions of isocyanates with linear methanol associates: VIII. Relative reactivity of linear phenol and methanol associates toward methyl isocyanate

The mechanisms of the reactions of methyl isocyanate with phenol monomer and linear dimer were studied at the B3LYP/6-311++G(df,p) level of theory, and the results were compared with those obtained for the reactions with methanol associates. All the examined reactions involve asymmetric concerted transition states. The addition of phenol is electrophilic, whereas the addition of methanol is nucleophilic. The formation of H-complexes with phenol and methanol molecules increases not only electron-donating power but also gasphase acidity and basicity.     

Quantum-chemical study on thermal transformations of urea in ethylene glycol

Thermal decomposition of urea in ethylene glycol with formation of isocyanic acid and ammonia was studied at the B3LYP/6-311++G(df,p) level of theory. The decomposition process is efficiently catalyzed by monomeric and dimeric forms of ethylene glycol. Ethylene glycol dimer formed via intermolecular hydrogen bonding is a stronger acid than the monomeric species, which is responsible for the higher catalytic activity of the former. Ethylene glycol associates efficiently catalyze addition of ammonium to isocyanic acid in the synthesis of ethylene carbonate.     

Correlation between the electron affinity of bromine-containing polyhalomethanes and individual chain transfer constants in the telomerization of vinyl chloride

Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 6, p. 1446, June, 1988.     

Synthesis of polyhaloalkyl-substituted azoles

A number of haloalkyltetrazoles were obtained by the addition of polyhalo derivatives to vinyltetrazoles. A number of haloalkyl-substituted benzazoles were obtained by the reaction of imino ester hydrochlorides that have haloalkyl radicals with o-phenylenediamine and o-aminophenol.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 3, pp. 369–372, March, 1991.