First-principles investigation of the multiple phases in bituminous materials: the case of asphaltene stacking

First-principles investigation of the multiple phases in bituminous materials : the case of asphaltene stacking

TSC import 1923 2012-02-10. QC 20120301
The existence of a microstructure in bituminous materials can explain this materials tendency to self heal. By means of atomic force microscopy and small angle neutron scattering the existence of the microstructure is demonstrated once again. Then it is suggested that the observed microstructure may very well be a consequence of the aggregation of asphaltenic molecules (providing internal volumes with a low H/C-ratio). This is a rather unadventurous suggestion, because flocculation of asphaltenes costs the global oil industry millions of dollars per day. A model asphaltene (a coronene-like molecule) has been selected for calculating semi-empirically the tendency to form stacks. It was found that there is some tendency to cluster, but the effect is not strong enough to be responsible for the observed microstructure.

Kringos, NicoleDelft Univ Technol, Fac Civil Engn & Geosci, Delft, Netherlands(Swepub:kth)u1vwo6eu (författare)
Scarpas, A. (författare)
Duif, C (författare)
Schitter, G (författare)
Pauli, T. (författare)
Delft Univ Technol, Fac Civil Engn & Geosci, Delft, Netherlands (creator_code:org_t)

Ingår i:ADVANCED TESTING AND CHARACTERISATION OF BITUMINOUS MATERIALSRhodes, Greece, s. 143-150

Av författaren/redakt...: Schmets, A.J.M.; Kringos, Nicole; Scarpas, A.; Duif, C; Schitter, G; Pauli, T.

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