The accurate description of many thermodynamic properties of acetic acid and its mixtures can be a challenge to model with standard thermodynamic models like local-composition activity coefficient models and cubic equations of state. A possible solution is offered by association equations of state, e.g. those belonging to the Statistical Associating Fluid Theory (SAFT) family. While several researchers have studied the use of SAFT variants to model acetic acid properties (pure compound and mixtures), with few exceptions, those studies focused exclusively on phase equilibria including vapor pressure and density. Other important properties, such as the speed of sound, second virial coefficient, compressibility factor, enthalpy of vaporization, and the isobaric heat capacity have not been considered yet. Few studies investigate which is the appropriate association scheme to be used for acetic acid. In this work, we compare the capability of two association models, Cubic Plus Association (CPA) and simplified Perturbed-Chain SAFT (sPC-SAFT), to predict a wide range of properties of acetic acid (mixtures) including derivative properties. We evaluate the influence of including one or more of those properties in the parameter estimation procedure for sPC-SAFT, we compare the results obtained with various choices of the association schemes (one or two sites) and finally we evaluate the efficiency of CPA and sPC-SAFT in correlating the phase equilibria of the binary mixtures of acetic acid with water, hexane or ethanol. It is concluded that both equations of state perform overall similarly, with the one-site scheme performing better overall, especially for some properties. The results of the evaluation also show that some properties are inter-correlated in the parameter estimation process making it essentially impossible to obtain sets that can accurately describe all the properties of acetic acid.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
customersupport@researchsolutions.com
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.
Copyright © 2025 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.