Modelling and optimisation of batch distillation involving esterification and hydrolysis reaction systems. Modelling and optimisation of conventional and unconventional batch distillation process: Application to esterification of methanol and ethanol using acetic acid and hydrolysis of methyl lactate system.
SupervisorMujtaba, Iqbal M.
KeywordConventional batch distillation
Inverted batch distillation
Batch reactive distillation
Fixed product demand
Dynamic modelling and optimisation
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InstitutionUniversity of Bradford
DepartmentSchool of Engineering, Design and Technology
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AbstractBatch distillation with chemical reaction when takes place in the same unit is referred to as batch reactive distillation process. The combination reduces the capital and operating costs considerably. Among many different types of batch reactive distillation column configurations, (a) conventional (b) inverted (c) semi-batch columns are considered here. Three reaction schemes such as (a) esterification of methanol (b) esterification of ethanol (c) hydrolysis of methyl lactate are studied here. Four different types of dynamic optimisation problems such as (a) maximum conversion (b) maximum productivity (c) maximum profit and (d) minimum time are formulated in this work. Optimal design and or operation policies are obtained for all the reaction schemes. A detailed rigorous dynamic model consisting of mass, energy balances, chemical reaction and thermodynamic properties is considered for the process. The model was incorporated within the dynamic optimisation problems. Control Vector Parameterisation (CVP) technique was used to convert the dynamic optimisation problem into a nonlinear programming problem which was solved using efficient SQP (Successive Quadratic Programming) method available within the gPROMS (general PROcess Modelling System) software. It is observed that multi-reflux ratio or linear reflux operation always led to better performance in terms of conversion, productivity for all reaction schemes compared to that obtained using single reflux operation. Feed dilution (in the case of ethanol esterification) led to more profit even though productivity was found to be lower. This was due to reduction in feed price because of feed dilution. Semi-batch reactive distillation opertation (for ethanol esterification) led to better conversion compared to conventional batch distillation, however, the total amount of acetic acid (reactant) was greater in semi-batch operation. Optimisation of design and operation (for ethanol esterification) clearly showed that a single cloumn will not lead to profitable operation for all possible product demand profile. Also change in feed and /or product price may lead to adjust the production target to maximise the profitability. In batch distillation, total reflux operation is recommended or observed at the begining of the operation (as is the case for methnaol or ethanol esterification). However, in the case of hydrolysis, total reflux operation was obseved at the end of the operation. This was due to lactic acid (being the heaviest) was withrawn as the final bottom product.
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Optimal design and operation of multivessel batch distillation with fixed product demand. Modelling, simulation and optimisation of design and operation parameters in multivessel batch distillation under fixed product demand scenario and strict product specifications using simple dynamic model in gPROMS.Mujtaba, Iqbal M.; Mahmud, Mohamed Taher Mustafa (University of BradfordSchool of Engineering, Design and Technology, 2010-09-28)Increased interest in unconventional batch distillation column configurations offers new opportunities for increasing the flexibility and energy efficiency of batch distillation. One configuration of particular interest is multivessel batch distillation column, which can be viewed as a generalization of all previously studied batch column configuration. In this work, for the first time the optimal design and operation tasks are developed for multivessel batch distillation with strict product specifications under fixed product demand. Also, in this work, two different operation schemes defined as STN (State Task Network) in terms of the option and numbers of off-cuts were considered for binary and ternary separation. Both the vapour load and number of stages in each column section together with the production sequence are optimised to achieve maximum profit function. The performance of the multivessel batch distillation column is evaluated against the performance of conventional batch column with a simple dynamic model using binary and ternary mixtures. It has been found that profitability improves with the multivessel system in both separations. gPROMS, a user-friendly, software is used for the modeling, simulation, and optimisation.
Modelling and Optimization of Conventional and Unconventional Batch Reactive Distillation Processes. Investigation of Different Types Batch Reactive Distillation Columns for the Production of a Number of Esters such as Methyl Lactate, Methyl Decanoate, Ethyl Benzoate, and Benzyl Acetate using gPROMSMujtaba, Iqbal M.; Rahmanian, Nejat; Aqar, Dhia Y. (University of BradfordFaculty of Engineering and Informatics, 2018)The synthesis of a number of alkyl esters such as methyl lactate, methyl decanoate, and ethyl benzoate via esterification in a reactive distillation is quite challenging. It is due to the complexity in the thermodynamic behaviour of the chemical species in the reaction mixture in addition to the difficulty of keeping the reactants together in the reaction section. One of the reactants (in these esterification reactions) having the lowest boiling point can separate from the other reactant as the distillation continues. This can result in a significant drop in the reaction conversion in a conventional reactive distillation whether it is a batch or a continuous column. To overcome this challenge, new different types of batch reactive distillation column configurations: (1) integrated conventional (2) semi-batch (3) integrated semi-batch (4) integrated dividing-wall batch distillation columns have been proposed here. Four esterification reaction schemes such as (a) esterification of lactic acid (b) esterification of decanoic acid (c) esterification of benzoic acid (d) esterification of acetic acid are investigated here. A detailed dynamic model based on mass, energy balances, chemical reaction, and rigorous thermodynamic (chemical and physical) properties is considered and incorporated in the optimisation framework within gPROMS (general PROcess Modelling System) software. It is found that for the methyl lactate system, the i-SBD operation outperforms the classical batch operations (CBD or SBD columns) to satisfy the product constraints. While, for the methyl decanoate system, the i-DWCBD operation outperforms all CBD, DWBD and sr-DWBD configurations by achieving the higher reaction conversion and the maximum product purity. For the ethyl benzoate system, the performance of i-CBD column is superior to the CBD process in terms of product quality, and conversion rate of acid. The CBD process is found to be a more attractive in terms of operating time saving, and annual profit improvement compared to the IBD, and MVD processes for the benzyl acetate system.
Economic feasibility of an integrated semi-batch reactive distillation operation for the production of methyl decanoateAqar, D.Y.; Mujtaba, Iqbal M. (2021-02-15)The formation of methyl decanoate (MeDC) by esterification reaction of decanoic acid with methanol through batch/continuous reactive distillation columns is operationally challenging, energy intensive and thus cost intensive operation due to complex thermodynamic behaviour of the reaction scheme. Aiming to overcome the equilibrium restriction of the decanoic acid (DeC) esterification operation, to improve the process efficiency and to reduce the total annualised cost (TAC), the semi-batch distillation column (SBD) and the recently proposed integrated semi-batch distillation column configuration (i-SBD) are investigated here. The performances of each of these column operations are evaluated in terms of minimum TAC for a given separation task. In both column configurations, additional operating constraints are considered into the optimization problem to prevent flooding of still pot due to the continuous charging of methanol into it. This study shows the superiority of i-SBD mode of operation over SBD operation in terms of TAC. Also, the optimization results for a defined separation task indicate that the performance of multi-interval control policy is overwhelmingly superior to the single-interval control operation in terms of operating batch time, and overall annual cost in the i-SBD system providing about a time saving of 82.75%, and cost (TAC) saving of 36.61% for a MeDC (product) concentration of 0.945 molefraction.