Temperature Dependence of Solubility Predicted from Thermodynamic Data Measured at a Single Temperature: Application to α, β, and γ-Glycine.

ABSTRACT: Understanding of solid-liquid equilibria for polymorphic systems is crucial for rational design and efficient operation of crystallization processes. In this work, we present a framework to determine the temperature dependent solubility based on experimentally accessible thermodynamic data measured at a single temperature. Using this approach, we investigate aqueous solubility of α, β, and γ-glycine, which, despite numerous studies, have considerable quantitative uncertainty, in particular for the most stable (γ) and the least stable (β) solid forms. We benchmark our framework on α-glycine giving predictions in excellent agreement with direct solubility measurements between 273-340 K, using only thermodynamic data measured at the reference temperature (298.15 K). We analyze the sensitivity

SUBMITTER: Manson A 

PROVIDER: S-EPMC9008547 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature