DSpace Общество:
http://rep.ksu.kz/handle/data/1920
Wed, 25 Apr 2018 13:34:41 GMT2018-04-25T13:34:41ZMathematical simulation of the hydrogenation of borodino coal
http://rep.ksu.kz/handle/data/2282
Название: Mathematical simulation of the hydrogenation of borodino coal
Авторы: Akhmetkarimova, Zh. S.; Baikenov, M. I.; Dyusekenov, A. M.
Аннотация: The kinetic and thermodynamic parameters of the hydrogenation of Borodino brown coal were calculated. With the use of equilibrium-kinetic analysis, the second-order reaction rate constants of forward and reverse reactions, the equilibrium constant, the activation energy, and the thermal effects of brown coal hydrogenation reactions were determined in a temperature range of 648–698 K at a hydrogen pressure of 10 MPa. In the course of the study, it was found that the experimental data are indicative of the adequacy of the equilibrium-kinetic analysis model for second-order reactions.Wed, 01 Mar 2017 00:00:00 GMThttp://rep.ksu.kz/handle/data/22822017-03-01T00:00:00ZConformational space of 4,4′-methoxypropylstilbene molecule
http://rep.ksu.kz/handle/data/2281
Название: Conformational space of 4,4′-methoxypropylstilbene molecule
Авторы: Abulyaissova, L. K.; Kenzhetaeva, S. O.; Kasymova, M. S.
Аннотация: Quantum-chemical simulation of the ground state [the density function B3LYP/6-31G, B3LYP/6-31G(d), and B3LYP/6-31+G(d,p) and the perturbation theory MP2/6-31G(d) methods] and the transition states [the B3LYP/6-31G(d) method] of 4,4′-methoxypropylstilbene molecule has been performed. Using the Ellinger MM2 force field method, the potentials of internal rotation have been obtained for each rotational degree of freedom of the molecule. The B3LYP simulation has revealed the planarity of the conjugated system and the orthogonal position of the alkyl substituent, whereas the benzene rings have deviated by about 20° with respect to the double bond plane according to the MP2 data. Three transition states of the molecule corresponding to the saddle points of the first and the second orders have been revealed. The stationary points have been identified by means of vibrational analysis.Thu, 01 Jun 2017 00:00:00 GMThttp://rep.ksu.kz/handle/data/22812017-06-01T00:00:00ZNew phosphorylated glycoluril derivatives
http://rep.ksu.kz/handle/data/2280
Название: New phosphorylated glycoluril derivatives
Авторы: Sal’keeva, L. K.; Taishibekova, E. K.; Bakibaev, A. A.; Minaeva, E. V.; Makin, B. K.; Sugralina, L. M.; Sal’keeva, A. K.
Аннотация: The N-acylation of glycoluril with 1-haloacetyl halides was studied. The optimal conditions and reaction regioselectivity, as well as the effect of reagent molar ratios, base nature, temperature, and reaction time on the yield of the target product were established. It was shown that the chemical modification of the synthesized bis(bromoacetyl) derivative of glycoluril by phosphorylation by the classical Arbuzov reaction gave a previously unknown bis(diethylphosphonoacetyl) derivative of glycoluril. The consecutive silylation and hydrolysis of the latter derivative gave the corresponding bis(phosphonoacetyl) derivative which presents interest as a potentially biologically active compound.Wed, 01 Mar 2017 00:00:00 GMThttp://rep.ksu.kz/handle/data/22802017-03-01T00:00:00ZOn electric-pulse well drilling and breaking of solids
http://rep.ksu.kz/handle/data/2279
Название: On electric-pulse well drilling and breaking of solids
Авторы: Kusaiynov, K.; Nussupbekov, B. R.; Shuyushbayeva, N. N.; Tanasheva, N. K.; Shaimerdenova, K. M.; Khassenov, A. K.
Аннотация: Research work has been carried out to determine the power-efficient regime of operation of an electric-pulse setup for breaking and crushing natural stones. The optimal energy and geometrical parameters of the method (dependence of the degree of breakdown of materials on the voltage and the electrode spacing in the switching unit) have been established. The proposed method makes it possible to effectively perform drilling in vertical wells for installing heat exchangers of thermal pumps.Thu, 01 Jun 2017 00:00:00 GMThttp://rep.ksu.kz/handle/data/22792017-06-01T00:00:00Z