Eine Plattform für die Wissenschaft: Bauingenieurwesen, Architektur und Urbanistik
Eine Plattform für die Wissenschaft: Bauingenieurwesen, Architektur und Urbanistik
Simulation of the Supramolecular Structure of Petroleum Disperse Systems
Abstract The formation of predominant structures of supramolecular entities in highly dispersed colloidal systems, the dispersion phase of which is represented by hydrocarbons, has been studied using molecular mechanics (MM+) simulation. The character of structuring in both individual groups of molecules and their mixtures yielding energetically most stable associates of supramolecular structures has been investigated for compounds taken to model paraffinic, naphthenic, and asphaltenic petroleum components. It has been shown that the number of identical molecules (n) in the associates is limited. For example, asphaltene molecules form an associate with an ordered (graphite-like) supramolecular structure at n ≈ 5–10. Consideration of a mixture of three components with regard to the values of intermolecular interaction energy E IMI shows that in colloidal solutions, asphaltenes form a core to which naphthenic and paraffin hydrocarbons are coordinated.
Simulation of the Supramolecular Structure of Petroleum Disperse Systems
Abstract The formation of predominant structures of supramolecular entities in highly dispersed colloidal systems, the dispersion phase of which is represented by hydrocarbons, has been studied using molecular mechanics (MM+) simulation. The character of structuring in both individual groups of molecules and their mixtures yielding energetically most stable associates of supramolecular structures has been investigated for compounds taken to model paraffinic, naphthenic, and asphaltenic petroleum components. It has been shown that the number of identical molecules (n) in the associates is limited. For example, asphaltene molecules form an associate with an ordered (graphite-like) supramolecular structure at n ≈ 5–10. Consideration of a mixture of three components with regard to the values of intermolecular interaction energy E IMI shows that in colloidal solutions, asphaltenes form a core to which naphthenic and paraffin hydrocarbons are coordinated.
Simulation of the Supramolecular Structure of Petroleum Disperse Systems
Kadiev, Kh. M. (Autor:in) / Gyul’maliev, A. M. (Autor:in) / Kadieva, M. Kh. (Autor:in) / Khadzhiev, S. N. (Autor:in)
Petroleum Chemistry ; 58 ; 849-854
01.10.2018
6 pages
Aufsatz (Zeitschrift)
Elektronische Ressource
Englisch
Structural–Dynamic Phase Transitions in Petroleum Disperse Systems
| Springer Verlag | 2019
Disperse reinforced concrete: composition-structure-properties correlations
| DOAJ | 2024
Global attractors for discrete disperse dynamical systems
| British Library Online Contents | 2009
Disperse structure forming in rapidly quenched Al-Hf alloy
| British Library Online Contents | 2001