Browsing by Subject "Green metrics"
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- PublicationOpen AccessBiocatalytic intensified process for the synthesis of neopentyl glycol dicaprylate/dicaprate(Elsevier, 2022-11-07) Máximo, F.; Asensi, M.; Serrano-Arnaldos, M.; Ortega Requena, Salvadora; Montiel, M.; Bastida, J.; Ingeniería QuímicaEmollient esters are widely used ingredients in the cosmetics industry. Their chemical synthesis requires the use of high temperatures and polluting acid catalysts, resulting in environmentally unfriendly processes. This paper describes, for the first time, the biocatalytic synthesis process of the cosmetic ingredient neopentyl glycol dicaprylate/dicaprate (INCI name), a mixture of branched diesters with excellent emollient properties. The co-esterification of the acids with the alcohol is carried out in a solvent-free system, using the biocatalyst Lipozyme®435, a commercial immobilized derivative of Candida antarctica lipase B marketed by Novozymes. Process intensification has been approached by acting on three different aspects. Firstly, the use of solvent-free systems provides higher yields by operating with smaller reactor volumes. Secondly, the inhibition of the enzymatic activity caused by caprylic and capric acids has determined the need to implement a new reaction strategy consisting in the use of a fed-batch reactor, in which the acid is added to the reactor using a peristaltic pump in order to maintain an optimal acid concentration that minimizes the inhibition effects. Finally, the reusability of the biocatalyst used has been verified, allowing it to be used in at least five consecutive reaction cycles without noticeable loss of activity. All this results in an efficient synthesis process with a process productivity of 0.15 kg product/L reactor·h and a biocatalyst productivity of 167.09 kg product/kg biocatalyst. Only 6 h are needed, operating in a fed-batch reactor at 80 °C, to obtain a product with 92.5% purity. In addition, the most commonly used sustainability indicators have been calculated, reflecting that the biocatalytic process developed for the synthesis of neopentyl glycol dicaprylate/dicaprate complies with many of the principles of “green chemistry” and is suitable for future implementation on an industrial scale.
- PublicationOpen AccessDevelopment of an industrial sustainable process for wax esters production: enzyme immobilization, process optimization, and plant simulation(2023-06-10) Montiel, M.C.; Serrano-Arnaldos, M.; Yagüe, C.; Ortega Requena, Salvadora; Máximo, F.; Bastida, J.; Ingeniería QuímicaBACKGROUND: As a result of the ban on whaling, there has been a shortage of spermaceti, a natural product with applications in cosmetics and pharmaceuticals. A green and sustainable process for the biocatalytic synthesis of a wax ester mixture analogue to natural spermaceti is presented in this paper. RESULTS: Immobilization of Candida antarctica lipase B by covalent binding to Purolite® Lifetech™ ECR8285 allowed for an immobilized derivative with 124.5 mg protein/g support (69.3% protein immobilization yield) that maintains 100% of its enzymatic activity after 12 months of cold storage and presents negligible loses of activity after 9 consecutive reaction cycles. The optimization of the synthesis process in a batch reactor resulted in conditions that, at 70 °C, 350 rpm, and 1.25% w/w of biocatalyst, achieved a conversion of 97% after 1 h of reaction. The simulation of a spermaceti production plant was carried out using the process simulation software aspenONE suite v10. The plant was designed for a continuous operation during 9 h per day, with a reactor of 20.25 L of working volume and a residence time of 1 h. The production of this plant would be 173.25 kg spermaceti/day, with a product purity of 99.55%. CONCLUSION: The main novelty of this work is the design of a spermaceti production plant, using the most sustainable methodologies and resulting in a product with exceptional characteristics and minimal waste generation. Moreover, a new lipase immobilized derivative is also described. The good values of sustainability indicators point to the viability of its industrial implementation.
- PublicationOpen AccessGreen Production of a High-Value Branched-Chain Diester: Optimization Based on Operating Conditions and Economic and Sustainability Criteria(MDPI, 2023-05-18) Montiel, C.; Gimeno-Martos, S.; Ortega Requena, Salvadora; Serrano-Arnaldos, M.; Máximo, F.; Bastida, J.; Ingeniería QuímicaFeatured Application: In the last years, consumers’ and administrations’ demand for more sustainable products and processes has been increasing. This work develops a new sustainable way to obtain a branched ester for cosmetic applications (neopentylglycol dilaurate) and demonstrates that this new production route can be economically competitive. Branched-chain esters (BCEs) have found a large number of applications in cosmetics. Among them, neopentyl glycol dilaurate (NPGDL) stands out as an emollient, emulsifier, and skin-conditioning agent. This work presents the synthesis of NPGDL in a solvent-free medium using the two most common immobilized lipases: Novozym® 40086 (Rml) and Novozym® 435 (CalB). Results proved that the former biocatalyst has lower activity and certain temperature deactivation, although conversions ≥ 90% were obtained at 60 °C and 7.5% of catalyst. On the other hand, optimal reaction conditions for Novozym® 435 are 3.75% w/w of the immobilized derivative at 80 °C. Under optimal conditions, the process productivities were 0.105 and 0.169 kg NPGDL/L h, respectively. In order to select the best conditions for NPGDL production, studies on the reuse of the derivative and cost estimation have been performed. Economic study shows that biocatalytic processes can be competitive when lipases are reused for five cycles, yielding biocatalyst productivities of 56 and 122 kg NPGDL/kg biocatalyst using Novozym® 40086 and Novozym® 435, respectively. The final choice will be based on both economic and sustainability criteria. Green metric values using both biocatalysts are similar but the product obtained using Novozym® 40086 is 20% cheaper, making this alternative the best option.
- PublicationOpen AccessSustainable Biocatalytic Procedure for Obtaining New Branched Acid Esters(MDPI, 2021-11-13) Montiel, M.C.; Asensi, M.; Gimeno-Martos, S.; Máximo, F.; Bastida, J.; Ingeniería QuímicaBiocatalytic synthesis of 2-ethylhexyl 2-methylhexanoate is described in this work for the first time. This branched-chain ester is suitable for use at low temperatures in numerous applications. The immobilized lipase Novozym® 435 has demonstrated its ability to catalyze the ester synthesis from 2-ethylhexanol and 2-methylhexanoic acid in a solvent-free medium. The high reaction times that are required result in a loss of alcohol by evaporation, which must be compensated for with an excess of this substrate if high conversions are to be achieved. Therefore, two strategies are established: 70 ◦C with a 10% excess of alcohol, which requires a longer operating time and provides conversions of 97%, and 80 ◦C with a 20% excess of alcohol, which allows for the achievement of a 99% conversion in a shorter time. The optimal reaction conditions have been chosen based on reusability of the enzyme, process productivity, green metrics and preliminary economic study. When the synthesis is carried out under the best conditions (70 ◦C, 10% molar excess of alcohol and six uses of the immobilized enzyme) a productivity of 203.84 kg product × kg biocatalyst−1 is attained. The biocatalytic procedure matches many of the objectives of “green chemistry” and is suitable to be scaled up and used in industrial manufacturing