Modeling of association effects in mixtures of carboxylic acids with associatin...

• Author(s): Ferreira, Olga ; Fornari, Tiziana ; Brignole, Esteban A. ; Bottini, Susana B.
• Date: 2003
• Persistent ID: http://hdl.handle.net/10198/2165
• Origin: Biblioteca Digital do IPB
• Subject(s): Association; Group contribution; Carboxylic acids
• Document Type: Article
• Language: English

Description

http://apps.isiknowledge.com/full_record.do?product=UA&search_mode=GeneralSearch&qid=6&SID=V21Di6PajaHLPoM3@AJ&page=1&doc=1&colname=WOS The group contribution with association equation of state GCA-EOS has been applied to calculate thermodynamic properties of pure compounds and mixtures of carboxylic acids with paraffins, alcohols, water and gases, at low and high pressures. Two associating groups, OH and COOH, were defined. Self- and cross-association in these mixtures were quantified through two parallel COOH/COOH and OH/OH associations. The validity of this approach is supported by an excellent representation of pure compound properties (vapor pressures and compressibility factors) and phase equilibria in mixtures of (associating + inert) and (associating + associating) components at low and high pressures.