Post by Software for Chemistry & Materials

𝗥𝗲𝗰𝗼𝘃𝗲𝗿𝗶𝗻𝗴 𝘃𝗮𝗹𝘂𝗮𝗯𝗹𝗲 𝗺𝗮𝘁𝗲𝗿𝗶𝗮𝗹𝘀 𝗳𝗿𝗼𝗺 𝘀𝗲𝗮𝘄𝗲𝗲𝗱 𝗶𝘀 𝗮𝗻 𝗶𝗺𝗽𝗼𝗿𝘁𝗮𝗻𝘁 𝘀𝘁𝗲𝗽 𝘁𝗼𝘄𝗮𝗿𝗱 𝗺𝗼𝗿𝗲 𝘀𝘂𝘀𝘁𝗮𝗶𝗻𝗮𝗯𝗹𝗲 𝗯𝗶𝗼𝗿𝗲𝗳𝗶𝗻𝗲𝗿𝗶𝗲𝘀, 𝗯𝘂𝘁 𝗰𝗼𝗻𝘃𝗲𝗻𝘁𝗶𝗼𝗻𝗮𝗹 𝗲𝘅𝘁𝗿𝗮𝗰𝘁𝗶𝗼𝗻 𝗺𝗲𝘁𝗵𝗼𝗱𝘀 𝗼𝗳𝘁𝗲𝗻 𝗿𝗲𝗹𝘆 𝗼𝗻 𝗵𝗮𝗿𝘀𝗵 𝗰𝗵𝗲𝗺𝗶𝗰𝗮𝗹𝘀 𝘁𝗵𝗮𝘁 𝗮𝗿𝗲 𝗱𝗶𝗳𝗳𝗶𝗰𝘂𝗹𝘁 𝘁𝗼 𝗿𝗲𝗰𝘆𝗰𝗹𝗲. In this new paper in 𝘚𝘦𝘱𝘢𝘳𝘢𝘵𝘪𝘰𝘯 𝘢𝘯𝘥 𝘗𝘶𝘳𝘪𝘧𝘪𝘤𝘢𝘵𝘪𝘰𝘯 𝘛𝘦𝘤𝘩𝘯𝘰𝘭𝘰𝘨𝘺, researchers demonstrate how 𝘁𝗲𝗺𝗽𝗲𝗿𝗮𝘁𝘂𝗿𝗲-𝗿𝗲𝘀𝗽𝗼𝗻𝘀𝗶𝘃𝗲 𝗱𝗲𝗲𝗽 𝗲𝘂𝘁𝗲𝗰𝘁𝗶𝗰 𝘀𝗼𝗹𝘃𝗲𝗻𝘁𝘀 can recover alginate while enabling the solvent itself to be reused, an important step toward more circular extraction processes. 𝗘𝘅𝗽𝗲𝗿𝗶𝗺𝗲𝗻𝘁𝘀 𝗶𝗱𝗲𝗻𝘁𝗶𝗳𝗶𝗲𝗱 𝗽𝗿𝗼𝗺𝗶𝘀𝗶𝗻𝗴 𝘀𝗼𝗹𝘃𝗲𝗻𝘁 𝘀𝘆𝘀𝘁𝗲𝗺𝘀 and demonstrated successful recycling, while 𝘀𝗶𝗺𝘂𝗹𝗮𝘁𝗶𝗼𝗻𝘀 𝗲𝘅𝗽𝗹𝗮𝗶𝗻𝗲𝗱 𝘁𝗵𝗲 𝘁𝗵𝗲𝗿𝗺𝗼𝗱𝘆𝗻𝗮𝗺𝗶𝗰 𝗽𝗿𝗶𝗻𝗰𝗶𝗽𝗹𝗲𝘀 governing extraction and solvent reuse. 𝗔𝗠𝗦 𝗖𝗢𝗦𝗠𝗢-𝗥𝗦 played a central role in the study. It was used to screen candidate solvents before experiments, predict alginate partitioning between solvent and water, and reveal why solvent performance changes during repeated recycling. The calculations also established practical design rules that can help researchers develop the next generation of recyclable, sustainable extraction solvents. 𝗥𝗲𝗮𝗱 𝘁𝗵𝗲 𝗽𝗮𝗽𝗲𝗿: https://lnkd.in/eveX76K6 𝗧𝗿𝘆 𝗔𝗠𝗦 𝗳𝗼𝗿 𝗳𝗿𝗲𝗲: https://lnkd.in/e3WMYWYp #COSMORS #Sustainability #CircularEconomy #Biorefinery #ComputationalChemistry #CompChem