This work aims to develop a simple, clean, and energy-efficient lipase-catalyzed method for the synthesis of isopropyl myristate (IPM). The enzymatic esterification between isopropyl alcohol and myristic acid was catalyzed using immobilized lipase. Response Surface Methodology (RSM) was applied to study the interactive effect of reaction conditions on IPM yield. The maximum experimental and predicted conversions were 92.4 % and 92.0 %, respectively. The optimized conditions were as follows: molar ratio of isopropyl alcohol to myristic acid molar ratio of 8:1, molecular sieves of 12.5 % w/w, a catalyst load of 4 % w/w, at a temperature of 60 °C and a reaction time of 2.5 h. Isopropyl myristate synthesized was isolated and fully characterized by GC–MS, FTIR, H and C NMR. Finally, to support the applicability perspective of this proposed method, a process diagram (PSD) was created using ASPEN PLUS software to simulate the production of IPM under the optimized conditions. The economic assessment of the whole process produced a positive net present value (NPV) of $44,797,732, return on investment (ROI) of 716.17 %, internal rate of return (IRR) of 110 %, payback period of 1.61, and a levelized cost of production (LCOP) of $1,777 per ton over a 14-year project lifespan. These results strongly suggest low-risk and high-profitability benefits to investing in this green route. Finally, the environmental impact was also assessed by calculating the quantity of CO generated from the proposed enzymatic process. The results showed a reduced emission rate of 0.25 ton CO eq. per ton of IPM produced. This underscores the lower environmental impact of this technology compared to traditional methods. Importantly, this study stands out as the first to conduct a comprehensive techno-economic assessment of the enzymatic synthesis of IPM, providing valuable insights into the economic viability and potential benefits of adopting this innovative and sustainable approach in the chemical manufacturing industry.

中文翻译：

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肉豆蔻酸异丙酯的清洁生产：具有整体技术经济评估的尖端酶法方法

本工作旨在开发一种简单、清洁、节能的脂肪酶催化合成肉豆蔻酸异丙酯（IPM）的方法。使用固定化脂肪酶催化异丙醇和肉豆蔻酸之间的酶促酯化。应用响应面法 (RSM) 研究反应条件对 IPM 产率的交互影响。最大实验转化率和预测转化率分别为 92.4% 和 92.0%。优化条件为:异丙醇与肉豆蔻酸摩尔比为8:1,分子筛用量为12.5%w/w,催化剂负载量为4%w/w,温度为60℃,反应时间2.5小时。分离合成的肉豆蔻酸异丙酯，并通过 GC-MS、FTIR、H 和 C NMR 进行全面表征。最后，为了支持该方法的适用性，使用 ASPEN PLUS 软件创建了流程图 (PSD)，以模拟优化条件下 IPM 的生产。整个过程的经济评估产生了正净现值（NPV）为 44,797,732 美元，投资回报率（ROI）为 716.17%，内部收益率（IRR）为 110%，投资回收期为 1.61，平准化成本为在 14 年的项目寿命期内，产量 (LCOP) 为每吨 1,777 美元。这些结果强烈表明投资这条绿色路线具有低风险和高利润的好处。最后，还通过计算所提出的酶处理过程产生的二氧化碳量来评估环境影响。结果显示，排放量减少了 0.25 吨 CO 当量。每生产一吨 IPM。这凸显了与传统方法相比，该技术对环境的影响更低。重要的是，这项研究首次对 IPM 的酶法合成进行了全面的技术经济评估，为化学制造行业采用这种创新和可持续方法的经济可行性和潜在效益提供了宝贵的见解。