Data reconciliation for chemical reaction systems using vessel extents and shape constraints. (9th June 2017)

• Record Type: Journal Article
• Authors: Srinivasan, Sriniketh; Billeter, Julien; Narasimhan, Shankar; Bonvin, Dominique
• Is Part Of: Computers & chemical engineering. Volume 101(2017)
• Page Start: 44
• Page End: 58
• Publication Date: 2017-06-09
• Subjects: Chemical reaction systems -- Data reconciliation -- Variants and invariants -- Extents -- Shape constraints; Chemical engineering -- Data processing -- Periodicals; 660.0285
• DOI: 10.1016/j.compchemeng.2017.02.003
• Languages: English
• ISSNs: 0098-1354

Abstract

Abstract : Highlights: Data reconciliation techniques reconcile noisy measurements. Shape constraints are identified and provided as surrogates for system dynamics. Data reconciliation in terms of numbers of moles is reformulated in terms of extents. The use of extents provides additional shape constraints. Advantages of a formulation using extents is illustrated via a simulated case study. Abstract: Concentrations measurements are typically corrupted by noise. Data reconciliation techniques improve the accuracy of measurements by using redundancies in the material and energy balances expressed as relationships between measurements. Since in the absence of kinetic models these relationships cannot integrate information regarding past measurements, they are expressed in the form of algebraic constraints. This paper shows that, even in the absence of a kinetic model, one can use shape constraints to relate measurements at different time instants, thereby improving the accuracy of reconciled estimates. The construction of shape constraints depends on the operating mode of the reactor. Moreover, it is shown that the representation of the reaction system in terms of vessel extents helps identify additional shape constraints. A procedure for deriving shape constraints from measurements is also described. Data reconciliation using both numbers of moles and extents is illustrated via a simulated case study.