Enhancing the Production of FDCA by Cosolvency: From Molecular Mechanisms to Process Simulation of Two Separation Routes

Considering the gradual depletion of petrochemical resources and the growing problem of plastic waste, the renewable and biodegradable polyethylene furanoate (PFE) material has the potential to replace nonbiodegradable petroleum-based plastics. 2,5-Furandicarboxylic acid (FDCA) is an essential monomer in the production of PFE, and its industrial production has received widespread attention. However, FDCA has poor solubility in pure solvents, which increases power consumption in the process and limits the separation of FDCA. In this paper, three solvents were designed by cosolvency to enhance the separation process. Through spectral analysis and molecular simulations, the mechanism of cosolvency was further elucidated. In theory, the solubility in the three designed cosolvency systems was enhanced by 2, 5, and 7 times, respectively. The crystallization process simulation in tetrahydrofuran (THF) and water showed that the yield was enhanced above 3.8 times compared to the pure THF solvents, and the power consumption was less than distillation.