Courriel Impression

2014 Research activities

Direct access to : Visitor Camilla Pereira Gambini
 Internship  V. Bajpai

An internal working session was organized within IFPEN together with the Process Engineers (May 2014) where two major areas of research have been identified, with actions to launch for each:

  • When mixtures are well characterized, often they contain many polar molecules for which little data exist: this is where an accessible predictive model is essential. Some ideas have been discussed: i) improvement of GC-PPC-SAFT for poly-functional molecules (see new thesis below), ii) improvement of the CPU time of the equation of state, iii) test and evaluation of the equation of state for derivate properties.
  • When on the contrary it is necessary to work with poorly characterized fluids, the challenges lies in the identification of appropriate methodologies to characterize them. Proposals are the following: i) evaluation of the Molecular Feed Reconstruction for bio-fluids, ii) establish links between the fluid analysis and pseudo-component definitions. An internship is planned in 2015 for evaluating an innovative way of measuring dielectric constants.

While work on poorly characterized systems continued (no significant publication in 2014), the Chair has hosted two collaborations: one visiting professor and one internship student.

Visitor Camilla Pereira Gambini (from UFRN-Federal University of Rio Grande do Norte, Natal, Brazil).

Figure: Solubility of gases in oxygenated solvents

Other topics were also investigated but have not been published yet:
  • Investigation of the use of predictive methods on the description of mixtures encountered in biofuel production and use (in writing).
  • Phase behavior of guaiacol and its mixtures: Experimental Measurements and comparison with predictive thermodynamic models (in writing)

Internship (V. Bajpai, Indian Institute of Technology)
Regarding water parameterization in the PPC-SAFT framework. Phase behavior calculations of water are still difficult to reproduce and we have tried some improvements using new parameter such as variable sphere softness and including mutual solubilities as well as mixing enthalpies with alcohols as fitting properties. Examples of results with various parameterizations (‘Dong’ means previous parametrization; Revised is the new approach; ‘high m’ was a test that was not retained) are provided below.


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