Band structure of alkali metal sulfatesl

Abstract

The supramolecular structure of clusters formed from molecular nanoparticles of asphaltenes was investigated
using computational and experimental methods. Samples of asphaltenes from the heat-treated residue of vacuum distillation of oil were studied. Quantum chemical calculations of nanoparticles using molecular mechanics and self-consistent field methods have been carried out. Nanoclusters based on experimental data and comprising from 2 to 10 molecular fragments were studied. The nonplanarity of the structure of nanoparticles of asphaltenes is established. The atomic force microscopy was used to study the surface topography and to calculate the structural parameters of asphaltene molecules. The results indicate disc-shaped supramolecular structures constructed from associates of asphaltene molecules.