Process modeling and optimization of continuous chiral resolution by integration of membrane and crystallization technologies

Chiral resolution will increase its importance in the pharmaceutical, pesticide, and food industries since future chiral products be structurally more complex while their quality need to meet stringent demands accomplish with health, crop, environmental purposes. Currently, obtaining enantiopure crystals from racemic compound-forming systems (90–95% of compounds) remains a challenge. The combination membrane ultrafiltration crystallization continuous process is potential solution this problem. This work aims optimize using modeling. First, model for step assumes one-site competition which selector binds preferentially one enantiomers. amino acids phenylalanine, alanine, valine aqueous media along BSA are studied. Then, three performance parameters (purity, recovery, previous two) assessed conditions membrane-based step. Recoveries up 70% achieved fulfilling purity levels beyond eutectic point compositions, requirement crystallization. Additionally, properties an ideal explored. Finally, (with recoveries 65%) coupled evaluate maximum recovery overall process. Simulations show that membrane-crystallization governed by trade-off between recovery. We predict BSA-similar should bear unprotonated binding site wide pH range difference enantiomer complexation constants at least 2–3 pK units improve performance.