Biobased organic acids constitute an important group of building block chemicals that can be produced from renewable resources, becoming a sustainable alternative to conventional petrochemical-derived commodities. However, due to the growing number of green solvents emerging as extraction media, the proper solvent selection for biomolecule separation from fermentation broths has become a key challenge in the biorefinery industry. The overall aim of this work is to develop a roadmap to select and design green solvents for sustainable downstream processing of biobased organic acids. To this end, a wide range of neoteric solvents (ionic liquids, eutectic solvents, and biobased solvents) were systematically evaluated for the recovery of relevant bio-organic acids through a combination of experimental and COSMO-RS (conductor-like screening model for real solvents) molecular simulation methods. Comprehensive thermodynamic analyses evaluating the organic acid partition coefficients, excess enthalpy contributions, solvent–water affinity, and process spontaneity were performed to elucidate the main mechanism driving the separation process and to provide essential guidelines for further solvent development. On the basis of these findings, a rational screening approach was established to identify suitable solvents for the recovery of structurally different bio-organic acids. Ultimately, this paper provides a green solvent selection guide to design sustainable separation processes for biobased organic acids to serve as valuable platform chemicals to transition toward a biobased economy.

中文翻译：

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生物基有机酸回收的绿色溶剂选择指南

生物基有机酸是可利用可再生资源生产的重要组成部分化学物质，成为常规石化产品的可持续替代品。然而，由于越来越多的绿色溶剂作为提取介质出现，从发酵液中分离生物分子的正确溶剂选择已成为生物精炼行业的关键挑战。这项工作的总体目标是制定路线图，以选择和设计绿色溶剂，以可持续地进行生物基有机酸的下游加工。为此，需要使用各种新型溶剂（离子液体，低共熔溶剂，通过实验和COSMO-RS（针对真实溶剂的类似导体的筛选模型）分子模拟方法的组合，系统地评估了相关生物有机酸的回收率。进行了综合的热力学分析，评估了有机酸的分配系数，过量的焓贡献，溶剂与水的亲和力以及过程的自发性，以阐明驱动分离过程的主要机理，并为进一步开发溶剂提供了必要的指导。基于这些发现，建立了一种合理的筛选方法，以鉴定用于回收结构不同的生物有机酸的合适溶剂。最终，