Modeling, analysis and multi-objective optimization of an industrial batch process for the production of tributyl citrate

Fonseca, Juan D.; Latifi, Abderrazak M.; Orjuela, Álvaro; Rodríguez, Gerardo; Gil, Iván D.

doi:10.1016/j.compchemeng.2019.106603

Cited by 22 publications

(15 citation statements)

References 27 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This corresponds to a typical catalyst loading used at the industrial scale under batch operation. 14 The corresponding RRCMs are presented in Figure S41 of the Supporting Information, and those were calculated at different conditions related to the liquid hold-up in the reactive stages and the distillation policy (i.e., H/V values). Values of various H/V from 0.1 to 1000 s were considered.…”

Section: Resultsmentioning

confidence: 99%

“…CA is mainly produced via fungal fermentation of sugars, − whereas EtOH is commonly produced using Saccharomyces cerevisiae and other yeasts. As an entirely bioderived green chemical, TEC is characterized by low toxicity, biodegradability, and good biocompatibility. − Similar to other citrates, TEC is commonly produced by liquid-phase esterification under batch operation using a homogeneous acid catalyst (e.g., methanesulfonic, p -toluenesulfonic, and sulfuric). In order to overcome the equilibrium limitations of the esterification reaction, excess alcohol and continuous water removal are commonly employed.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Homogeneous and Heterogeneous Catalytic Kinetics in the Production of Triethyl Citrate

Bohórquez

Osorio-Pascuas

Santaella

et al. 2020

Ind. Eng. Chem. Res.

Self Cite

View full text Add to dashboard Cite

This work deals with the determination of kinetic models for the esterification of citric acid with ethanol for the synthesis of triethyl citrate. Methanesulfonic acid (MSA) and an ion-exchange resin Amberlyst 70 (A70) were used as catalysts. Experiments were carried out under batch operation at temperatures between 345 and 393 K and at different initial reactant concentrations and catalyst loadings. The evolution of concentrations along the reaction was tracked by liquid chromatography. The proposed model corresponds to an activity-based kinetic expression, and the activity coefficients were calculated with UNIQUAC equation. The adjustment of the corresponding kinetic parameters for each catalyst was done with a genetic algorithm by minimization of the squared differences between experiments and model predictions. The obtained models exhibited good agreement with experiments and can be used for further process development. MSA exhibited around 10 times the activity of A70 under similar conditions. In the case of A70, this catalyst has not only higher temperature stability but also showed higher activity than previously reported Amberlyst 15. Both studied catalysts seem feasible alternatives for the implementation of homogenously or heterogeneously catalyzed reactive distillation processes for triethyl citrate production.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Homogeneous and Heterogeneous Catalytic Kinetics in the Production of Triethyl Citrate

Bohórquez

Osorio-Pascuas

Santaella

et al. 2020

Ind. Eng. Chem. Res.

Self Cite

View full text Add to dashboard Cite

show abstract

“…Progress in bio-based plasticizers has been recently reviewed [ 17 ]. Similar to tri-butyl citrate, aconitic acid esters such as tri-butyl aconitate and tri-ethyl aconitate have also been reported as bio-based plasticizers [ 35 , 36 , 37 ]. In addition, Gilfillan and Doherty [ 18 ] reported that aconitic acid acts as a strong plasticizer for starch films.…”

Section: Industrial Applicationsmentioning

confidence: 99%

Aconitic Acid Recovery from Renewable Feedstock and Review of Chemical and Biological Applications

Bruni

Klasson

2022

Foods

View full text Add to dashboard Cite

Aconitic acid (propene-1,2,3-tricarboxylic acid) is the most prevalent 6-carbon organic acid that accumulates in sugarcane and sweet sorghum. As a top value-added chemical, aconitic acid may function as a chemical precursor or intermediate for high-value downstream industrial and biological applications. These downstream applications include use as a bio-based plasticizer, cross-linker, and the formation of valuable and multi-functional polyesters that have also been used in tissue engineering. Aconitic acid also plays various biological roles within cells as an intermediate in the tricarboxylic acid cycle and in conferring unique survival advantages to some plants as an antifeedant, antifungal, and means of storing fixed pools of carbon. Aconitic acid has also been reported as a fermentation inhibitor, anti-inflammatory, and a potential nematicide. Since aconitic acid can be sustainably sourced from renewable, inexpensive sources such as sugarcane, molasses, and sweet sorghum syrup, there is enormous potential to provide multiple streams of additional income to the sugar industry through downstream industrial and biological applications that we discuss in this review.

show abstract

“…[15,32] MAUT was selected because it can model human preferences easily, by aggregating scores to calculate an overall grade used to select the best alternative. [33,34] This method is an extension of utility theory applied to multicriteria problems. [27] The principle is to model the preferences of a decider in a multi-attribute utility function U (Equation ( 1)), in four steps: (a) determine the limit values for each criterion, (b) define the individual utility functions, (c) evaluate the weights of each criterion, and (d) build a multi-attribute utility function:…”

Section: Alternative Stepmentioning

confidence: 99%

Chemical product design integrating MCDA: Performance prediction and human preferences modelling

et al. 2021

View full text Add to dashboard Cite

Computation-based techniques and modelling of human knowledge and preferences by using multi-criteria decision aid (MCDA) methods are integrated in a multi-scale and multi-disciplinary approach for the chemical product and process design. The proposed methodology has four main stages: (a) construction of a molecular model for predicting product performance, (b) validation of product performance, (c) selection of alternatives integrating preferences of manufacturers and consumers, and (d) process optimization implementing MCDA methods. The methodology is oriented to find new products that can replace components of formulations, whose performance is already known. It was applied to an exploratory study about the use of glycerol as raw material to produce plasticizers for polyvinyl chloride (PVC), replacing 2-ethylhexyl phthalate (DEHP). The results of the case study and the proposed process design offer promising prospects regarding their application in other chemical products.

show abstract

Modeling, analysis and multi-objective optimization of an industrial batch process for the production of tributyl citrate

Cited by 22 publications

References 27 publications

Homogeneous and Heterogeneous Catalytic Kinetics in the Production of Triethyl Citrate

Homogeneous and Heterogeneous Catalytic Kinetics in the Production of Triethyl Citrate

Aconitic Acid Recovery from Renewable Feedstock and Review of Chemical and Biological Applications

Chemical product design integrating MCDA: Performance prediction and human preferences modelling

Contact Info

Product

Resources

About