R Workflow for Semi-Automated LC–HRMS Data Processing for Unveiling Copolymer Distributions

These polyether polyols are manufactured by a catalyzed reaction between an initiator and an organic oxide.³ The choice of initiators, for example, water [f=2], glycerin [f=3], and pentaerythritol [f=4], determines the functionality (f) of the produced polyol. Typical organic oxides are cyclic ethers; for example, ethylene oxide (EO) and propylene oxide (PO), which ultimately represent the repeating unit of the produced polyols. As such, the physical-chemical properties and the application of the polyether polyols are mainly determined by the inherent initiators, organic oxide, and molecular weight distribution(s) of the polyether polyols. These polyether polyols are often used in formulated systems, which increases tremendously the complexity of such samples. Complex formulations may comprise multiple initiators with varying functionalities, organic oxides, and even additives to alter the properties of the polyether polyols. Consequently, characterizing these polyether polyols is also of utmost importance to advance new applications, improve product performance, and screen competitor markets. A better understanding of the exact composition of polyester polyols depends heavily on the proper selection of analytical tools.