Screening of Equation-of-State Models for Pure Carbon Dioxide Properties and Binary Mixture (Carbon Dioxide/Water and Carbon Dioxide/Ethanol) Phase Equilibrium

• Type: Another Publication in an International Scientific Journal
• Date: 2023

Authors

Almeida, F (Author) Other; Manrique, A (Author) Other; Lopes, B (Author) Other; Martins, FG (Author) FEUP; Madalena M. Dias (Author) FEUP

Journal

Title: Journal of Chemical & Engineering Data

ISSN: 0021-9568

Publisher: American Chemical Society

Indexing

ISI Web of Knowledge - 0 Citations

Scopus - 0 Citations

Associated Projects

LA LSRE-LCM - Financiamento Plurianual 2020-2023 para a Unidade LA LSRE-LCM Laboratório de Processos de Separação e Reacção - Laboratório de Catálise e Materiais

Valor Natural - Valorização de Recursos Naturais através da Extração de Ingredientes de Elevado Valor Acrescentado para Aplicações na Indústria Alimentar

Other information

Authenticus ID: P-00Z-S2M

DOI: 10.1021/acs.jced.3c00528

Abstract (EN): An appropriate thermodynamic model is vital for simulating the multiple industrial processes involving carbon dioxide. This work used equations of state available in the Aspen Plus software to determine carbon dioxide¿s thermodynamic and transport properties (density, viscosity, and specific heat capacity) and its equilibrium in binary mixtures with water and ethanol. Results were compared with literature data for temperatures from 273 to 353 K and pressures up to 30 MPa. The best results for carbon dioxide¿s pure properties were given by the REFPROP and GERG-2008 models, with less than 0.5% overall relative error. Other models also produced accurate predictions within global average absolute value of the relative error of less than 5%. Nevertheless, these models must be cautiously used, as some zones might lead to significantly larger errors. Regarding the equilibrium of binary mixtures (carbon dioxide/water and carbon dioxide/ethanol), no model accurately covered the entire pressure and temperature range here considered. For the carbon dioxide/water binary system, the worst VLE prediction of the CO2-dense phase was usually given by the PRMHV2 model; GERG-2008 and PR-BM commonly overestimate the water mole fraction in the water-rich phase. PRMHV2 and REFPROP models typically fail VLE predictions regarding the carbon dioxide/ethanol binary system. Generally, better predictions were obtained at temperatures further from CO2¿s critical temperature. © 2023 American Chemical Society.

Language: English

Type (Professor's evaluation): Scientific