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Time Resolution in Transient Kinetics

Soheil Soltani (Kompetenscentrum katalys (KCK) ; Institutionen för kemi och kemiteknik, Kemisk reaktionsteknik) ; Ronnie Andersson (Kompetenscentrum katalys (KCK) ; Institutionen för kemi och kemiteknik, Kemisk reaktionsteknik) ; Bengt Andersson (Kompetenscentrum katalys (KCK) ; Institutionen för kemi och kemiteknik, Kemisk reaktionsteknik)
Springer Proceedings in Mathematics and Statistics: 3rd Annual Workshop on Inverse Problems, 2013, Stockholm, Sweden, 2-6 May 2013 (2194-1009). Vol. 120 (2015), p. 81-96.
[Konferensbidrag, refereegranskat]

This study presents the mathematical background of deconvolution of concentration data in transient kinetic studies. In a case study with a flow reactor setup, it has been shown that the deconvolution algorithm results in a significant reduction in the time lag of an FTIR detector from around 23 s to around 1.2 s. This is an important achievement as otherwise the dynamic information of a reactive system (like the rate of adsorption or accumulation of surface species) would have been lost during that time interval. Using the regularizing theory of ill-posed, inverse problems, an algorithm for deconvolution of concentration measurements has been developed based on the discrepancy principle. Our software package, TranKin, can be easily adapted to various other laboratory reactor systems to enhance the time resolution of transient experiments.

Nyckelord: inverse problems, transient kinetics, deconvolution, resolution enhancement, kinetic modelling



Denna post skapades 2014-11-07. Senast ändrad 2016-05-26.
CPL Pubid: 205436

 

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Institutioner (Chalmers)

Kompetenscentrum katalys (KCK)
Institutionen för kemi och kemiteknik, Kemisk reaktionsteknik

Ämnesområden

Tillämpad matematik
Kemiska processer
Katalys

Chalmers infrastruktur

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