Computer simulation of the adsorption of acetylene by disperse aqueous medium. IR spectra

Abstract

Adsorption of acetylene molecules by water clusters at T 230 K was studied by the method of molecular dynamics. Addition of already two C 2 H 2 molecules to (H 2 O) 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 C 2 H 2 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 adsorp- tion of C 2 H 2 molecules and grows with an increase in the acetylene concentration in the disperse aqueous system. DOI: 10.1134/S1070363208010143