A Mechanism Based Reaction-Diffusion Model for Spurt Oxidation of Bitumen
Focusing on the spurt reaction, related primarily to the formation of sulfoxides, we derive a reaction-diffusion model within the frame of thermodynamics of irreversible processes (TIP). It can account for bitumen composition and, it has been derived with the objective of minimizing the number of purely phenomenological parameters by considering underlying mechanisms at molecular level. Key aspects of the model are discussed by means of film ageing simulations.
KeywordsBitumen Oxidative ageing Reaction-diffusion model TIP
- Alnaes, M., Blechta, J., Hake, J., Johansson, A., Kehlet, B., Logg, A., Richardson, C., Ring, J., Rognes, M., and Wells, G.: The fenics project version 1.5. Archive of Numerical Software, 3(100) (2015)Google Scholar
- Petersen, J.: A review of the fundamentals of asphalt oxidation. Technical report, Transportation Research Board (2009)Google Scholar
- Powers, D.P.: Characterization and Asphaltene Precipitation Modeling of Native and Reacted Crude Oils. PhD thesis, University of Calgary (2014)Google Scholar
- Read, J., Whiteoak, D.: The Shell Bitumen Handbook, 5th edn. Thomas Telford Publishing, London (2003)Google Scholar
- Vidal, J. (2003). Thermodynamics. Editions OPHRYSGoogle Scholar