10.1021/acs.energyfuels.9b03489.s001
F. Ramos-Pallares
F.
Ramos-Pallares
H. W. Yarranton
H. W.
Yarranton
Extending the Modified Regular Solution Model To Predict
Component Partitioning to the Asphaltene-Rich Phase
American Chemical Society
2020
Predict Component Partitioning
phase compositions
MRS
phase mass
asphaltene-rich phase compositions
Modified Regular Solution Model
activity coefficient approach
SARA
asphaltene-rich phase
Western Canada bitumen
crude oil pseudo-components
phase equilibrium data
paraffin-diluted crude oils
entropic contribution
model
2020-01-14 14:12:25
Journal contribution
https://acs.figshare.com/articles/journal_contribution/Extending_the_Modified_Regular_Solution_Model_To_Predict_Component_Partitioning_to_the_Asphaltene-Rich_Phase/11604561
The modified regular
solution (MRS) model is an activity coefficient
approach previously developed to predict the onset and amount of asphaltene
precipitation from <i>n</i>-paraffin-diluted crude oils.
The activity coefficients in this model are determined from an enthalpic
contribution based on the regular solution theory and a Flory–Huggins
(configurational) entropic contribution. The inputs are the molar
volume and solubility parameter of the crude oil pseudo-components,
which are defined on the basis of the saturate, aromatic, resin, and
asphaltene (SARA) fractions; however, only asphaltenes and resins
are free to partition between the two phases. Hence, the model cannot
predict the amount and composition of the heavy asphaltene-rich phase.
In this study, the MRS model was updated to account for the partitioning
of all components based on phase equilibrium data from a Western Canada
bitumen mixed with <i>n</i>-pentane and <i>n</i>-heptane at ambient conditions. To match the measured phase compositions,
the entropic contribution in the solvent-rich phase was set to the
Flory–Huggins term and the contribution from the asphaltene-rich
phase was set to zero. An approach to predict the solubility parameters
and density of the pseudo-components at other temperatures and pressures
was also proposed. The model was tested on a data set containing phase
mass and phase compositions of a Western Canada bitumen mixed with <i>n</i>-heptane, <i>n</i>-pentane, <i>n</i>-butane, and propane at temperatures from 20 to 250 °C and pressures
up to 13 MPa. The average absolute deviations in the phase mass and
compositions were 7 and 12 wt %, respectively. The maximum deviations
were found for the asphaltene-rich phase compositions. The model was
also tested on a data set of asphaltene yields from oils from different
disparate geographical locations at temperatures from 0 to 50 °C
at 0.1 MPa. The average absolute deviation was 1 wt %.