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Computer Simulation of the Adsorption of Acetylene by Disperse Aqueous Medium. IR Spectra
Computer Simulation of the Adsorption of Acetylene
by Disperse Aqueous Medium. IR Spectra

Russian Journal of General Chemistry, 2008, Vol. 78, No. 1, pp. 73–81. Pleiades Publishing, Ltd., 2008. Original Russian Text A.N. Novruzov, O.R. Rakhmanova, O.A. Novruzova, A.E. Galashev, 2008, published in Zhurnal Obshchei Khimii, 2008, Vol. 78, No. 1, pp. 76 –84.

A. N. Novruzov, O. R. Rakhmanova, O. A. Novruzova, and A. E. Galashev

Abstract–Adsorption of acetylene molecules by water clusters at T 230 K was studied by the method of
molecular dynamics. Addition of already two C2H2 molecules to (H2O)n clusters (10 ? n ? 20) makes them
thermodynamically unstable. With an increase in the acetylene concentration in the disperse aqueous system,
the IR absorption by the cluster system in the frequency range 0 ? ?? 1000 cm-1 increases. Depending on the
number of C2H2 molecules per water cluster, the IR reflection by cluster systems can either increase or
decrease. The power of the thermal radiation emitted by the clusters considerably increases after the adsorption
of C2H2 molecules and grows with an increase in the acetylene concentration in the disperse aqueous
system.


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