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Showing 1 to 4 of 4 for “"COSMO-SAC"”.
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Studies on Hydrogen-Pinch Analysis and Application of COSMO-SAC to Electrolytes
… hydrogen pinch analysis; and (2) application of COSMO-SAC (conductor-like screening model – segment activity coefficient) to electrolytes. Part (1) presents an automated spreadsheet method that can quickly help minimize fresh hydrogen consumption and maximize hydrogen recovery and reuse in …
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Application of COSMO-SAC to Solid Solubility in Pure and Mixed Solvent Mixtures for Organic Pharmacological Compounds
… screening model−segment activity coefficient (COSMO-SAC), a liquid-phase activity-coefficient model. The databases contain the necessary information to perform binary and multicomponent VLE and SLE predictions. We offer detailed tutorials and procedures for use with our programs so the reader …
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Multiscale Modeling of an Industrial Nylon-6 Leacher
… screening model-segment activity coefficient (COSMO-SAC) model to generate solubility predictions of small, cyclic oligomers in water and ε-caprolactam. Additionally, we develop an extension of COSMO-SAC to model polymer species, which we refer to as Polymer-COSMO-SAC, and apply it to solve …
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Predicting Phase Equilibria Using COSMO-Based Thermodynamic Models and the VT-2004 Sigma-Profile
… such as the conductor-like screening model (COSMO), provide a good alternative to traditional group-contribution methods for predicting thermodynamic phase behavior. Two COSMO-based thermodynamic models are COSMO-RS (real solvents) and COSMO-SAC (segment activity coefficient). The main …