National Centre for Upgrading Technology, 1 Oil Patch Drive, Suite A202, DEVON, Alberta T9G 1A8, Canada
Upgrading and refining industries are major sources of greenhouse gas emissions (GHGs) in Canada. Fossil fuel industries generate 117 Mt/year of GHG emissions (in CO2 equivalents), a tad less than the transportation sector (197 Mt/year) and 16% of the total emissions generated in Canada. This sizable contribution can be reduced by improving energy use in upgraders and/or refineries, not only through developing new processing technologies but also by eliminating waste and improving energy management. Given the complexity of a refinery, such improvements frequently require sophisticated tools to help engineers better understand various aspects of individual processes and other challenges brought about by putting those individual processes together. Probably the most important tools for evaluating these challenges are mathematical models of refining processes.
Based on information about feedstock composition, operating conditions, and a particular catalyst (if one is used), a good mathematical model of a process – such as hydrotreating, coking, or catcracking – should be capable of predicting not only the yields of individual product streams but also their quality and the related energy consumption.
For years NCUT has been involved in the development of new advanced characterization methods. Currently we are working on the development of a method for diesel range characterization by GC-FI-TOF HRMS (Field Ionization Time-of-Flight High-resolution Mass Spectrometry) as part of the total model development. The method will include instrument adaptation and software capable of QC monitoring and recalibration of the response factors, and distribution of the hydrocarbon types by boiling point. Combination of GC, FI and high-resolution will allow separation of hydrocarbon molecules by boiling points and molecular weights, and will resolve the elemental compositions of these ions with a mass resolving power up to 7000, and mass accuracy of ±mDa. The elemental composition (C, H, N, and S) calculated by the GC-FI-TOF will be reconciled with the elemental composition obtained by elemental analysis and also by other GC methods such as GC-SCD and GC-AED for sulphur by boiling point, GC-NCD for nitrogen by boiling point, and GC-AED for C and H by boiling point.