Synthesis and tribological properties of Guerbet alcohol from a mixture of C12–C14 fatty alcohol: Modeling using RSM, ANN

IF 2.4 4区 农林科学 Q3 CHEMISTRY, APPLIED Journal of the American Oil Chemists Society Pub Date : 2024-12-15 DOI:10.1002/aocs.12921
Somesh Patil, Prasad Sanap, Deepak Sonawane, Amit Pratap
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Abstract

Guerbet alcohol (GA) is β-branched primary alcohol having excellent physiochemical properties like lower pour point (PP) and higher kinematic viscosity (KV) in comparison to linear alcohol. Although synthesis of GA has been extensively studied to evaluate the role of various catalysts and effect of reaction conditions, statistical modeling and optimization of the synthesis process has not been reported. In the present work, the optimization of the synthesis of GA using a mixture of lauryl and myristyl alcohol was carried out with the aid of response surface methodology (RSM) considering the conversion of the reaction, PP and KV at 40 and 100°C as dependent variables. The optimal reaction conditions were temperature, pressure, and time of 220°C, 300 mbar, and 10 hours respectively. The optimum conversion was 99.14%, including dimer yield of 81.76%, PP of −3°C, KV at 40 and 100°C of 34.12 and 7.22 cSt, respectively. The results obtained by the RSM were then authenticated, applying artificial neural networks (ANN) generated with the help of MATLAB. The ability of the generated model to predict the response variables was validated by less than 5% error for almost all the models, confirming their statistical significance. Also, the tribological potential for linear Ginol-12,14 (FA) and synthesized branched GA as lubricant additive was evaluated by determining its physiochemical, thermal and tribological properties.

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C12-C14脂肪醇混合物合成古贝醇及其摩擦学性能:用RSM、ANN建模
古贝醇(GA)是一种β-支链伯醇,与线性醇相比,具有较低的倾点(PP)和较高的运动粘度(KV)等优异的理化性质。虽然对GA的合成进行了广泛的研究,以评估各种催化剂的作用和反应条件的影响,但合成过程的统计建模和优化尚未见报道。本文以40℃和100℃条件下的反应转化率、PP和KV为因变量,利用响应面法(RSM)对十二烷基和肉豆烯醇的混合物合成GA进行了优化。最佳反应条件为温度220℃,压力300 mbar,反应时间10 h。最佳转化率为99.14%,二聚体收率为81.76%,PP为- 3℃,KV在40℃和100℃时分别为34.12和7.22 cSt。然后利用MATLAB生成的人工神经网络对RSM得到的结果进行验证。生成的模型对响应变量的预测能力得到了验证,几乎所有模型的误差都小于5%,证实了它们的统计显著性。此外,通过测定其理化、热、摩擦学性能,评价了线性ginol -12,14 (FA)和合成支化GA作为润滑油添加剂的摩擦学潜力。
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来源期刊
CiteScore
4.10
自引率
5.00%
发文量
95
审稿时长
2.4 months
期刊介绍: The Journal of the American Oil Chemists’ Society (JAOCS) is an international peer-reviewed journal that publishes significant original scientific research and technological advances on fats, oils, oilseed proteins, and related materials through original research articles, invited reviews, short communications, and letters to the editor. We seek to publish reports that will significantly advance scientific understanding through hypothesis driven research, innovations, and important new information pertaining to analysis, properties, processing, products, and applications of these food and industrial resources. Breakthroughs in food science and technology, biotechnology (including genomics, biomechanisms, biocatalysis and bioprocessing), and industrial products and applications are particularly appropriate. JAOCS also considers reports on the lipid composition of new, unique, and traditional sources of lipids that definitively address a research hypothesis and advances scientific understanding. However, the genus and species of the source must be verified by appropriate means of classification. In addition, the GPS location of the harvested materials and seed or vegetative samples should be deposited in an accredited germplasm repository. Compositional data suitable for Original Research Articles must embody replicated estimate of tissue constituents, such as oil, protein, carbohydrate, fatty acid, phospholipid, tocopherol, sterol, and carotenoid compositions. Other components unique to the specific plant or animal source may be reported. Furthermore, lipid composition papers should incorporate elements of year­to­year, environmental, and/ or cultivar variations through use of appropriate statistical analyses.
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