Optimisation and scale-up of batch chemical reactors: Impact of safety constraints

The condensation reaction of furfural (F) on acetone (Ac) gives a high added value product, the 4-(2-furyl)-3-buten-2-one (FAc), used as aroma in alcohol free drinks, ice, candies, gelatines and other products of current life. This synthesis valorises the residues of sugar cane treatment since furfural is obtained by hydrolysis of sugar cane bagasse followed by vapor training extraction. In the face of numerous and complex reactions involved in this synthesis, it is very complicated to define the kinetic laws from exact stoichiometry. A solution allowing to cope the problem consists in identifying an appropriate stoichiometric model. It does not attempt to represent exactly all the reaction mechanisms, but proposes a mathematical support to integrate available knowledge on the transformation. The aim of this work is the determination of stoichiometric and kinetic models of the condensation reaction of furfural on acetone. Concentrations of reagents and products are determined by gas and liquid chromatography. Concentration profiles obtained at different temperatures are used to identify kinetic parameters. The model is then used for the optimization of the production of FAc. The interest of such tool is also shown for the scale up of laboratory reactor to a large scale. The anticipation of the reaction behaviour in large scale is crucial especially when the reactor presents important limitations of thermal exchange capacity.

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“…This optimization method allows to scale up a chemical reaction in batch reactor with safety constraints [23,24].…”

Section: Optimization Of Chemical Synthesismentioning

confidence: 99%

“…The reversibility of reactions (23) and (24) are negligible. Besides these two reactions, others may happen.…”

Section: Aldolic Condensation Of Furfural On Acetonementioning

confidence: 99%

Stoichio-kinetic modeling and optimization of chemical synthesis: Application to the aldolic condensation of furfural on acetone

Fakhfakh¹,

Cognet²,

Cabassud³

et al. 2008

Chemical Engineering and Processing: Process Intensification

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“…SMB model operating regimes were optimized for parameters such as column length, particle porosity and particle diameter using the nonlinear SQP method. Toulouse et al [85] used SQP optimization methods for determining the best operating conditions of batch chemical reactors taking into account safety and yield constraints. This methodology aimed at establishing the time evolutions of temperature, feed rate and fill level in order to reach maximal efficiency of chemical and pharmaceutical reactions using adequate energy inputs.…”

Section: Manufacturing Processesmentioning

confidence: 99%

Optimization Methodologies for the Production of Pharmaceutical Products

Escotet‐Espinoza

Rogers

Ierapetritou

2016

Methods in Pharmacology and Toxicology

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Finding the most beneficial conditions during the development of a given product or process is among one of the top goals for both scientist and engineers across all industries. In the pharmaceutical industry, as global competition increases and there is a higher demand for accessible quality products, it is important to focus on the improvement of product development and manufacturing. Optimization methodologies can greatly aid the production of pharmaceutical products by providing a systematic framework to process improvement. In this review, general concepts regarding the implementation of optimization methods are introduced along with examples of their application in pharmaceutical manufacturing process design and formulation development. An overview of optimization methodologies used for the improvement of batch and continuous pharmaceutical manufacturing is presented. Challenges in the application of optimization methods in pharmaceutical manufacturing are discussed along with a future outlook of the field and its place in pharmaceutical process and product design. Overall the review points to optimization as a critical component in the design of improved and effective pharmaceutical products, in alignment with the common goals of both regulatory agencies and industry.

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“…performance objective in deterministic terms) and the safety goal (expressed in probabilistic terms). The current optimization strategies account rather empirically on the runaway boundaries by using thresholds for the parameters or state variables or for the rate of generating heat during the reaction, empirically determined from observations and past experience with the process. Other approaches define explicit constraints to limit the temperature sensitivity vs operating parameters or try keeping a certain distance of the set point from the runaway boundaries due to the uncertainty in the operating parameters .…”

Section: Introductionmentioning

confidence: 99%

Derivation of critical and optimal operating conditions for a semibatch reactor under parametric uncertainty based on failure probability indices

Maria

Dan

2011

Asia-Pacific J Chem Eng

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Derivation of optimal operating policies and runaway boundaries for a semibatch reactor (SBR), when highly exothermic reactions are conducted and hazardous side reactions may occur, is a difficult task because of multiple sources of process uncertainty to be considered (variability in raw materials, catalyst, impurities, model inaccuracies, measurement errors, technological, economic and safety constraints). The present work introduces a new criterion based on failure probability indices related to uncertainty in the runaway boundaries and disturbances of the operating parameters. Such a criterion is used not only to derive more prudent SBR optimal operating policies but also to appreciate rapprochement to critical conditions. An example is provided for an SBR used for conducting the hazardous acetoacetylation of pyrrole with diketene in homogeneous liquid phase catalysis. Both uncertainties in evaluating the runaway boundaries, with a generalized sensitivity criterion, and of the running conditions are used to generate optimal operating strategies, making a satisfactory compromise between the productivity goal and safety requirements.

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Optimisation and scale-up of batch chemical reactors: Impact of safety constraints

Cited by 22 publications

References 2 publications

Stoichio-kinetic modeling and optimization of chemical synthesis: Application to the aldolic condensation of furfural on acetone

Stoichio-kinetic modeling and optimization of chemical synthesis: Application to the aldolic condensation of furfural on acetone

Optimization Methodologies for the Production of Pharmaceutical Products

Derivation of critical and optimal operating conditions for a semibatch reactor under parametric uncertainty based on failure probability indices

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