• Functional-segment activity coefficient equation of state : F-SAC-Phi 

      Baladão, Luís Fernando; Staudt, Paula Bettio; Soares, Rafael de Pelegrini (2019) [Artigo de periódico]
      COSMO-RS refinements and applications have been the focus of numerous works, mainly due to their great predictive capacity. However, these models do not directly include pressure effects. In this work, a methodology for ...
    • Influence of fusel oil components on the distillation of hydrous ethanol fuel (HEF) in a bench column 

      Mayer, Flávio Dias; Feris, Liliana Amaral; Marcilio, Nilson Romeu; Staudt, Paula Bettio; Hoffmann, Ronaldo; Baldo, Vanessa (2015) [Artigo de periódico]
      The components of fusel oil form azeotropes with water, resulting in challenges in obtaining hydrous ethanol fuel (HEF) and increasing investment and operating costs. The aim of this study was to evaluate how the presence ...
    • A pairwise surface contact equation of state : COSMO-SAC-Phi 

      Soares, Rafael de Pelegrini; Baladão, Luís Fernando; Staudt, Paula Bettio (2019) [Artigo de periódico]
      In this work a new method for inclusion of pressure effects in COSMO-type activity coefficient models is proposed. The extension consists in the direct combination of COSMO-SAC and lattice-fluid ideas by the inclusion of ...
    • Performance of predictive models in phase equilibria of complex associating systems : PC-Saft and CEoS/GE 

      Bender, Neumara; Staudt, Paula Bettio; Soares, Rafael de Pelegrini; Cardozo, Nilo Sérgio Medeiros (2013) [Artigo de periódico]
      Cubic equations of state combined with excess Gibbs energy predictive models (like UNIFAC) and equations of state based on applied statistical mechanics are among the main alternatives for phase equilibria prediction ...
    • Predicting phase equilibrium of aqueous sugar solutions and industrial juices using COSMO-SAC 

      Paese, Lucas Tosin; Spengler, Rafaela Luísa; Soares, Rafael de Pelegrini; Staudt, Paula Bettio (2020) [Artigo de periódico]
      COSMO-SAC model was used to predict bubble point pressure, bubble point temperature, water activity, freezing point depression and solubility of sugars in aqueous solutions. COSMO-SAC is based on quantum chemistry computations ...