Estimating reaction rate constants from a two-step reaction: a comparison between two-way and three-way methods

Optimal measurement design for monitoring batch processes

“…To validate our approach, a comparison is made with theoretical results on the same system given in Boelens et al In that article only the first reaction A + B → C is considered and optimal measuring time of 3 min and 20 s is found. We simulated this system by putting normal distributed noise on the values of the k 1 with a variance as measured 7. Performing the four steps of our algorithm we found the optimal measurement time to be 3 min and 10 s which is in good agreement with the theoretical result.…”

Optimal measurement design for monitoring batch processes

“…To validate our approach, a comparison is made with theoretical results on the same system given in Boelens et al In that article only the first reaction A + B → C is considered and optimal measuring time of 3 min and 20 s is found. We simulated this system by putting normal distributed noise on the values of the k 1 with a variance as measured 7. Performing the four steps of our algorithm we found the optimal measurement time to be 3 min and 10 s which is in good agreement with the theoretical result.…”

Kinetics of Photoelectrocatalytic Degradation of Nitrophenols on Nanostructured TiO2 Electrodes

“…By comparing Figure A,B, although it seems that the concentrations of 2-NPh could be estimated using the absorption band at 282 nm, the slight decrease of the absorption band here makes it impossible. PLS is an alternative method to resolve mixtures of compounds with strong overlap peaks − and has been successfully applied in infrared, UV−vis, and fluoresce spectral data. PLS was employed in this study to determine the concentration of 4-NPh and 2-NPh during the photoelectrocatalytic oxidation of their mixture.…”

Chemometrics: achievements and prospects

“…These data are gained, for example, by using hyphenated 150,151 and evolution methods. 152 The data are compressed using special approaches three of which (used most often) are briefly considered in this Section. The most comprehensive and systematic description of these methods with numerous examples of their application to chemical analysis can be found in a monograph.…”

Optimal measurement design for monitoring batch processes

“…To validate our approach, a comparison is made with theoretical results on the same system given in Boelens et al In that article only the first reaction A + B → C is considered and optimal measuring time of 3 min and 20 s is found. We simulated this system by putting normal distributed noise on the values of the k 1 with a variance as measured 7. Performing the four steps of our algorithm we found the optimal measurement time to be 3 min and 10 s which is in good agreement with the theoretical result.…”

Kinetics of Photoelectrocatalytic Degradation of Nitrophenols on Nanostructured TiO2 Electrodes

“…By comparing Figure A,B, although it seems that the concentrations of 2-NPh could be estimated using the absorption band at 282 nm, the slight decrease of the absorption band here makes it impossible. PLS is an alternative method to resolve mixtures of compounds with strong overlap peaks − and has been successfully applied in infrared, UV−vis, and fluoresce spectral data. PLS was employed in this study to determine the concentration of 4-NPh and 2-NPh during the photoelectrocatalytic oxidation of their mixture.…”

Chemometrics: achievements and prospects

“…These data are gained, for example, by using hyphenated 150,151 and evolution methods. 152 The data are compressed using special approaches three of which (used most often) are briefly considered in this Section. The most comprehensive and systematic description of these methods with numerous examples of their application to chemical analysis can be found in a monograph.…”

Optimal measurement design for monitoring batch processes

“…To validate our approach, a comparison is made with theoretical results on the same system given in Boelens et al In that article only the first reaction A + B → C is considered and optimal measuring time of 3 min and 20 s is found. We simulated this system by putting normal distributed noise on the values of the k 1 with a variance as measured 7. Performing the four steps of our algorithm we found the optimal measurement time to be 3 min and 10 s which is in good agreement with the theoretical result.…”

Kinetics of Photoelectrocatalytic Degradation of Nitrophenols on Nanostructured TiO2 Electrodes

“…By comparing Figure A,B, although it seems that the concentrations of 2-NPh could be estimated using the absorption band at 282 nm, the slight decrease of the absorption band here makes it impossible. PLS is an alternative method to resolve mixtures of compounds with strong overlap peaks − and has been successfully applied in infrared, UV−vis, and fluoresce spectral data. PLS was employed in this study to determine the concentration of 4-NPh and 2-NPh during the photoelectrocatalytic oxidation of their mixture.…”

Chemometrics: achievements and prospects

“…These data are gained, for example, by using hyphenated 150,151 and evolution methods. 152 The data are compressed using special approaches three of which (used most often) are briefly considered in this Section. The most comprehensive and systematic description of these methods with numerous examples of their application to chemical analysis can be found in a monograph.…”