Optimization of reactive distillation column

The reactive distillation combines both chemical reaction and multi component separation into a single unit. It is a unit operation in which chemical reaction and distillative separation are carried out simultaneously within a fractional distillation apparatus. Reactive distillation (RD), the combination of chemical reaction and distillation in a single unit operation, has proven to be advantageous over conventional process systems consisting of separate reactor and distillation units. A simulation model based on an extension of conventional distillation is proposed for the simulation step of the optimization problem. A reactive distillation column has been synthesized for the production of ethylene glycol for the given number of trays, feed distribution, liquid hold up in each plate, boil up fraction assuming ideal vapor liquid equilibrium relation. The objective function is the minimization of the total annualized cost and to evaluate the objective function, the operating conditions determined by the column simulation for each decision vector have to be calculated. The optimization of the objective function has been done by using genetic algorithm, and the results obtained are similar to those previously reported

Preliminary Design of Reactive Distillation Columns

A procedure that combines feasibility analysis, synthesis and design of reactive distillation columns is introduced. The main interest of this methodology lies on a progressive introduction of the process complexity. From minimal information concerning the physicochemical properties of the system, three steps lead to the design of the unit and the specification of its operating conditions. Most of the methodology exploits and enriches approaches found in the literature. Each step is described and our contribution is underlined. Its application is currently limited to equilibrium reactive systems where degree of freedom is equal to 2 or less than 2. This methodology which provides a reliable initialization point for the optimization of the process has been applied with success to different synthesis. The production of methyl-tert-butyl-ether (MTBE) and methyl acetate are presented as examples

A hybrid reactive distillation process with high selectivity pervaporation for butyl acetate production via transesterification

A hybrid reactive distillation system with high selectivity pervaporation was examined to produce butyl acetate and methanol via transesterification of methyl acetate with butanol. High selectivity pervaporation was combined with reactive distillation to eliminate a hitherto required column for the separation of a methanol and methyl acetate azeotrope. The polyamide-6 membrane was used for this purpose because of its high selectivity for methanol while also allowing sufficient permeate flux. The high purity methyl acetate recovered in the retentate stream leads to high conversion in the reactive distillation column, which enhances the energy savings (up to 71%) of this process. The feasibility of the proposed hybrid processes and several alternative designs were evaluated by rigorous simulation and optimization using the Aspen Plus software package. The effects of several designs and operating variables were also investigated for the proposed design. The high potential of the hybrid reactive distillation and pervaporation system for butyl acetate production is very promising; it may not only reduce the total annual costs relative to conventional systems but may also provide an attractive strategy to address problems associated with methanol and methyl acetate azeotropes in the effluent generated in the polyvinyl alcohol industry

Computer Simulation Studies for the Production of 7-Tetradecene by Reactive Distillation

The production of 7-tetradecene was examined. Properties for this compound were estimated using group contribution methods and compared to experimental data. Process simulation was used as a tool to identify competitive processing strategies. For reactive distillation, three different models were compared to determine the model complexity needed to describe the process: Model A, with the assumption of physical and chemical equilibrium; Model B, with kinetics described by a second order reaction and physical equilibrium; and Model C, a non-equilibrium stage model that accounts for mass transfer. A conceptual design was obtained with Model B and was checked with Model C, which described the process more accurately but was more difficult to converge. Since, Model A was easier to converge, it was used to predict process conversions at different pressures. Predictions favor working at 1 bar, due to the lower heat duty and the minimum stages required

Techno-economic optimization of a process superstructure for lignin valorization

Lignin, the most abundant aromatic biopolymer on Earth, is often considered a biorefinery by-product, despite its potential to be valorized into high-added-value chemicals and fuels. In this work, an integrated superstructure-based optimization model was set up and optimized using mixed-integer non-linear programming for the conversion of technical lignin to three main biobased products: aromatic monomers, phenol-formaldehyde resins, and aromatic aldehydes/acids. Several alternative conversion pathways were simultaneously compared to assess the profitability of lignins-based processes by predicting the performance of technologies with different TRL. Upon employing key technologies such as hydrothermal liquefaction, dissolution in solvent, or high-temperature electrolysis, the technical lignins could have a market value of 200 €/t when the market price for aromatic monomers, resins, and vanillin is at least 2.0, 0.8, and 15.0 €/kg, respectively. When lower product selling prices were considered, the aromatic monomers and the resins were not profitable as target products