Monitoring the kinetics of the ion-exchange resin catalysed esterification of acetic acid with ethanol using near infrared spectroscopy with partial least squares (PLS) model

Helminen, Jarkko; Leppämäki, M.; Paatero, Erkki; Minkkinen, Pentti

doi:10.1016/s0169-7439(98)00076-8

Cited by 20 publications

(11 citation statements)

References 13 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This reaction was studied already in Reference [1] with highly non-ideal data. Now we use data presented in Reference [11]. The temperature and the amount of catalyst were different from the values used in Reference [1] and therefore the results cannot be straightforwardly compared.…”

Section: Esterification Of Ethanol With Acetic Acidmentioning

confidence: 99%

“…The details of these experiments are published in Reference [11], so only some essential points are given here. The experiments consisted of nine batches with different initial concentrations of ethanol and acetic acid.…”

Section: Esterification Of Ethanol With Acetic Acidmentioning

confidence: 99%

“…Traditional analyses are difficult to carry out, because the reaction starts immediately already at room temperature. The spectroscopic data were produced at Lappeenranta University of Technology with the same instrumentation as in Reference [11].…”

Section: Esterification Of Methanol With Formic Acidmentioning

confidence: 99%

See 2 more Smart Citations

Rapid estimation of chemical kinetics by implicit calibration. I

Taavitsainen¹,

Haario²

2001

Journal of Chemometrics

View full text Add to dashboard Cite

SUMMARYIn this study, methods for estimating kinetic parameters from on-line measurements of batch reactions are developed. The basic idea is to combine non-linear parameter estimation with implicit calibration between measured spectra and concentrations given by a known kinetic model. Several alternatives for the calibration step are discussed and the three most promising methods have been studied more closely. The basic ideas and identifiability questions are elucidated by simulation studies with simple kinetic models. The simulations show that the implicit calibration method works also with uncalibrated chromatograms. Two real esterification reactions with spectroscopic data are studied. In the first one, concentration data are available and our method gives results quite similar to those obtained in more traditional ways. The latter reaction, however, was a fast one and consequently off-line calibration based on known mixtures failed. In contrast, our method gave almost identical parameter values to the ones obtained by an independent study on the same reaction based on a complicated on-line chromatographic measurement system. In this case the results were compared with a new way of using pure component spectra and generalized ridge regression with stoichiometric constraints. Our studies show that the most important factors in obtaining reliable results are proper design of the batch experiments, proper weighting of the initial measurements of each batch and proper measure for goodness of fit.

show abstract

Section: Esterification Of Ethanol With Acetic Acidmentioning

confidence: 99%

Section: Esterification Of Ethanol With Acetic Acidmentioning

confidence: 99%

See 1 more Smart Citation

Rapid estimation of chemical kinetics by implicit calibration. I

Taavitsainen¹,

Haario²

2001

Journal of Chemometrics

View full text Add to dashboard Cite

show abstract

“…The industrial grades of ethyl acetate are 85.0–88.0, 99.0 and 99.5% 1. Table 1 shows the summary of the past works on the production of ethyl acetate using batch fashions 2–11. It can be seen that a batch reactor produces the ethyl acetate at a maximum of 52.0% by mole, whereas higher purity can be produced via a batch reactive distillation column.…”

Section: Introductionmentioning

confidence: 99%

Neural network‐based controller design of a batch reactive distillation column under uncertainty

Konakom

Kittisupakorn

Mujtaba

2011

Asia-Pacific J Chem Eng

View full text Add to dashboard Cite

This paper presents the use of neural network-based model predictive control (NNMPC) incorporated with a neural network (NN) estimator for handling the predefined optimal policy tracking of a batch reactive distillation. The predefined optimal policy has been determined by dynamic optimization strategy. Then, the NNMPC incorporated with the NN estimator has been implemented to provide tracking of the obtained optimal policy. The NN model in the MPC algorithm gives as a one-step-ahead prediction of states, and it is therefore used in every iteration over a prediction horizon. Thus, the measured distillate composition at current time, needed as one of NN model inputs, is needed. However, the composition measurement is rarely available online in practice. Hence, an NN estimator is developed to estimate the current composition from the available measured composition with delay of 10 min. Both NNs are trained based on Levenberg-Marquardt algorithm. It has been found that the NNMPC provides satisfactory control performance for set point tracking problems. The robustness of the NNMPC is investigated with respect to parametric plant uncertainties and temperature measurement noise. Comparisons are made with a proportional integral derivative (PID) controller incorporated with the NN estimator. The results show that the NNMPC provides better control performance than the PID controller in all cases. 

show abstract

“…Helminen et al [2] reported that the ethyl acetate with 52.0% purity maximum can be produced in a batch reactor. The product purity is very low because of the equilibrium limitation resulting in the need of further purification.…”

Section: Introductionmentioning

confidence: 99%

Use of a Batch Reactive Distillation With Dynamic Optimization Strategy to Achieve Industrial Grade Ethyl Acetate

Konakom¹,

Saengchan²,

Kittisupakorn³

et al. 2011

AIP Conference Proceedings

View full text Add to dashboard Cite

Industrial grade ethyl acetate is available with minimum purity of 85.0%. It is mostly produced by an ethanol esterification in a distillation process on both batch and continuous modes. However, researches on high purity production with short operating time are rarely achieved. Therefore, the objective in this work is to study an approach to produce ethyl acetate of 90.0% by 8 hours using a batch reactive distillation column. Based on open-loop simulations, the distillation with constant reflux ratio cannot achieve the product specification. Thus, the dynamic optimization strategy is proposed to handle this problem. For the process safetypreventing the dried column and fractured, a minimum reflux ratio must be determined in advance and then an optimal reflux profile is calculated to achieve optimal product yield. Simulation results show that the industrial grade ethyl acetate can be produced by the dynamic optimization programming with two or more time intervals. Besides, the increasing of time intervals can produce more distillate product.

show abstract

Monitoring the kinetics of the ion-exchange resin catalysed esterification of acetic acid with ethanol using near infrared spectroscopy with partial least squares (PLS) model

Cited by 20 publications

References 13 publications

Rapid estimation of chemical kinetics by implicit calibration. I

Rapid estimation of chemical kinetics by implicit calibration. I

Neural network‐based controller design of a batch reactive distillation column under uncertainty

Use of a Batch Reactive Distillation With Dynamic Optimization Strategy to Achieve Industrial Grade Ethyl Acetate

Contact Info

Product

Resources

About