Incremental identification of reaction systems—A comparison between rate-based and extent-based approaches

Bhatt, Nirav; Kerimoglu, Nimet; Amrhein, Michael; Marquardt, Wolfgang; Bonvin, Dominique

doi:10.1016/j.ces.2012.05.040

Cited by 52 publications

(63 citation statements)

References 24 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Owing to the decoupling of the various rates and extents, each reaction and each mass transfer can be dealt with individually, unlike in the simultaneous identification, where an overall model including all the reactions and mass transfers has to be postulated [4][5][6]. Hence, the reaction and masstransfer rate parameters estimated by the incremental methods are largely uncorrelated.…”

Section: List Of Symbolsmentioning

confidence: 99%

“…Depending on whether the contributions are expressed as rates or extents, these methods are labeled 'rate-based' or 'extent-based' identification methods. Although computationally less expensive, the rate-based method has the drawback of introducing a bias due to the numerical differentiation step [6].…”

Section: List Of Symbolsmentioning

confidence: 99%

“…If the quantities u in,g (t), u out,g , m g (t) and V g (t) are known, the p m = 2 extents of mass transfer can be computed using the MV-form of the measured numbers of moles n g,Cl 2 (t) = c g,Cl 2 (t)V g (t) and n g,HCl (t) = c g,HCl (t)V g (t), as described in Eq. (6). The resulting extents of mass transfer x m,g (t) are used to compute the extents of mass transfer x m,l (t) for the liquid phase according to Eqs.…”

Section: Reaction Systemmentioning

confidence: 99%

See 2 more Smart Citations

Extent-based kinetic identification using spectroscopic measurements and multivariate calibration

Billeter¹,

Srinivasan²,

Bonvin³

2013

Analytica Chimica Acta

Self Cite

View full text Add to dashboard Cite

Section: List Of Symbolsmentioning

confidence: 99%

Section: List Of Symbolsmentioning

confidence: 99%

Section: Reaction Systemmentioning

confidence: 99%

See 1 more Smart Citation

Extent-based kinetic identification using spectroscopic measurements and multivariate calibration

Billeter¹,

Srinivasan²,

Bonvin³

2013

Analytica Chimica Acta

Self Cite

View full text Add to dashboard Cite

“…These two incremental methods have been compared via a case study. 7 The number of measured species required for transforming the measured concentrations into rates or extents is the main limitation of incremental approaches. The possibility of using additional indirect measurements such as calorimetry 8 and spectroscopy 9 has also been documented.…”

Section: Introductionmentioning

confidence: 99%

Identification of Multiphase Reaction Systems with Instantaneous Equilibria

Srinivasan

Billeter

Bonvin

2016

Ind. Eng. Chem. Res.

Self Cite

View full text Add to dashboard Cite

The identification of kinetic models for multiphase reaction systems is complex due to the simultaneous effect of chemical reactions and mass transfers. The extentbased incremental approach simplifies the modeling task by transforming the reaction system into variant states called vessel extents, one for each rate process. This transformation is carried out from the measured numbers of moles (or concentrations) and requires as many measured species as there are rate processes. Then, each vessel extent can be modeled individually, that is, independently of the other dynamic effects. This paper presents a modified version of the extent-based incremental approach that can be used to identify multiphase reaction systems in the presence of instantaneous equilibria. Different routes are possible depending on the number and type of measured species. The approach is illustrated via the simulated example of the oxidation of benzyl alcohol by hypochlorite in a batch reactor.

show abstract

“…The incremental approach usually proceeds in two steps: (1) computation of the contribution associated with each reaction and mass transfer as rates or extents and (2) individual identification of the rate laws and corresponding parameters from the computed rates or extents [6]. Due to the decoupling of the various rates or extents, each reaction and each mass transfer can be dealt with individually, which avoids the combinatorial increase in the number of rate scenarios to be tested.…”

Section: Introductionmentioning

confidence: 99%

Extent-based incremental identification of reaction systems using concentration and calorimetric measurements

Srinivasan¹,

Billeter²,

Bonvin³

2012

Chemical Engineering Journal

Self Cite

View full text Add to dashboard Cite

h i g h l i g h t s" Extent-based incremental identification models extents computed from concentrations. " Calorimetry is related to extents of reaction and mass transfer via enthalpies. " Extents are computed by augmenting rank-deficient concentrations with calorimetry. " Extents computed from full-rank conc. allow estimating enthalpies from calorimetry. " These concepts are illustrated via homogeneous and gas-liquid reaction systems. a r t i c l e i n f oArticle history: Available online 21 July 2012 Keywords:Reaction kinetics Mass-transfer rates Extents of reaction Extents of mass transfer Incremental identification Calorimetry a b s t r a c t Extent-based incremental identification uses the concept of extents and the integral method of parameter estimation to identify reaction kinetics from concentration measurements. The approach is rather general and can be applied to open both homogeneous and gas-liquid reaction systems. This study proposes to incorporate calorimetric measurements into the extent-based identification approach for two main purposes: (i) to be able to compute the extents in certain cases when only a subset of the concentrations is measured and (ii) to estimate the enthalpies when all concentrations are measured. The two approaches are illustrated via the simulation of a homogeneous and a gas-liquid reaction system, respectively.

show abstract

Incremental identification of reaction systems—A comparison between rate-based and extent-based approaches

Cited by 52 publications

References 24 publications

Extent-based kinetic identification using spectroscopic measurements and multivariate calibration

Extent-based kinetic identification using spectroscopic measurements and multivariate calibration

Identification of Multiphase Reaction Systems with Instantaneous Equilibria

Extent-based incremental identification of reaction systems using concentration and calorimetric measurements

Contact Info

Product

Resources

About