E-PPR78: A proper cubic EoS for modelling fluids involved in the design and operation of carbon dioxide capture and storage (CCS) processes. (January 2017)

• Record Type: Journal Article
• Authors: Xu, Xiaochun; Lasala, Silvia; Privat, Romain; Jaubert, Jean-Noël
• Is Part Of: International journal of greenhouse gas control. Volume 56(2017)
• Page Start: 126
• Page End: 154
• Publication Date: 2017-01
• Subjects: CCS fluids -- E-PPR78 model -- Vapor-liquid-equilibrium -- Enthalpy changes on mixing; Greenhouse gases -- Environmental aspects -- Periodicals; Air -- Purification -- Technological innovations -- Periodicals; Gaz à effet de serre -- Périodiques; Gaz à effet de serre -- Réduction -- Périodiques; Air -- Purification -- Technological innovations; Greenhouse gases -- Environmental aspects; Periodicals; 363.73874605
• DOI: 10.1016/j.ijggc.2016.11.015
• Languages: English
• ISSNs: 1750-5836

Abstract

Highlights: The applicability range of the E -PPR78 model is extended. Four new groups: COS, NH3, NO2 /N2 O4 and N2 O are added. The predictive E -PPR78 equation of state is now applicable to CCS mixtures. VLE and h M data of binary systems that compose CCS mixtures are accurately predicted. Abstract: Considering the broad range of operating conditions that typically characterize carbon dioxide capture and storage (CCS) processes, on the one side, and the high number of species that compose the processed streams, on the other, it becomes evident the necessity of disposing of suitable equations of state being able to flexibly represent the complexity of all these thermodynamic systems. To address the growing industrial need for predictive, sufficiently accurate and simple thermodynamic models, the Enhanced -Predictive-PR78 ( E -PPR78) equation of state is proposed here as a suitable model for CCS fluids. Currently, the application of the E -PPR78 model is limited to CCS mixtures of CO2, CH4, N2, O2, Ar, H2, H2 S, SO2, NO, CO and H2 O. The main objective of this work is the extension of the modelling capability of E -PPR78 to mixtures that, besides the mentioned species, could also contain COS, NH3, NO2, N2 O4 and N2 O. This result is achieved by introducing, with this paper, four new molecular groups for the E -PPR78 model, namely, "COS" (group 28), "NH3 " (group 29), "NO2 /N2 O4 " (group 30) and "N2 O" (group 31). More specifically, the paper presents, at first, a review of all the available experimental vapor-liquid-equilibrium (VLE) and enthalpy changes on mixing ( h M ) data for binary systems containing 2 of the following compounds: CO2, CH4, N2, O2, Ar, H2, H2 S, COS, SO2, NH3, NO, NO2, N2 O4, N2 O, CO and H2 O. Secondly, the E -PPR78 model is parameterized over these data: not only new group-interaction parameters are determined for the 4 groups added in this study but many parameters are updated over newly available data. Modelling results are analyzed accounting for the complexity of each system, evaluated according to the classification scheme of Van Konynenburg and Scott. Moreover, the capacity of the model to predict ternary data is meticulously discussed. This research thus provides a predictive equation of state, the E -PPR78, being applicable to most of the currently treated CCS fluids, and discusses its strengths and limitations.