Data Reconciliation Among FIONA,GC-FIMS,and SimDis Measurements for Petroleum Fractions

摘要

PIONA(paraffin,isoparaffln,olefin,naphthene,aromatic)is a widely used characterization method for petroleum fractions boiling below 200°C,while a gas chromatography-field ionization mass spectrometry(GC-FIMS)characterization method developed at the National Centre for Upgrading Technology(NCUT)provides a reliable hydrocarbon type distribution by carbon number(#C)for middle distillates boiling between 200°C-360°C.This article proposes an integrated approach to combine the results from both PIONA and GC-FIMS measurements,resulting in detailed hydrocarbon-type distribution between the initial and end boiling points of the middle distillate.Furthermore,summing up the mass in each boiling point(BP)interval(e.g.,10°C)generates an equivalent simulated distillation(SimDis)curve that needs to be reconciled with the SimDis measured by the ASTM D2887 method.This article also discusses a simple data reconciliation approach that allowed us to use the three separate pieces of information(PIONA,GC-FIMS,and SimDis)as an internally consistent basis for the derivation of molecular representation of materials characterized in such a way.