resumo
To create a predictive method for an associative equation of state, the parameters of a specific associative group should be transferrable among molecules. The hydroxyl group, one of the most common associative groups, is a good starting point for this development. On the basis of a previous study where a modified version of the Cubic Plus Association (CPA) EoS was shown to present accurate results for alkanols with almost constant association parameters, this work addresses branched, secondary alcohols, 1,omega-alkanediols, and glycerol to evaluate how CPA can handle steric hindrances and the presence of more than one hydroxyl group. The pure component properties studied here are vapor pressure, saturated liquid density, saturated liquid isobaric heat capacity, and heat of vaporization. Some VLE, LLE, and GLE of binary systems are also analyzed, showing how the modifications affect the description of binary/multicomponent systems. Some systems containing petroleum fluids are also analyzed.
palavras-chave
VAPOR-LIQUID-EQUILIBRIA; ETHYLENE-GLYCOL; ELEVATED PRESSURES; CPA EOS; DERIVATIVE PROPERTIES; TRANSPORT-PROPERTIES; PHASE-EQUILIBRIA; BINARY-SYSTEMS; WATER; 1,2-ETHANEDIOL
categoria
Engineering
autores
Palma, AM; Oliveira, MB; Queimada, AJ; Coutinho, JAP
nossos autores
André Palma
Bolseiro de pós-Doutoramento
Mariana Belo Oliveira
Bolseiro de pós-Doutoramentoagradecimentos
This work was funded by KBC Advanced Technologies Limited (A Yokogawa Company) under project "Extension of the CPA model for Polyfunctional Associating Mixtures". A.M.P. acknowledges KBC for his Ph.D grant. Tony Moorwood is acknowledged for mentoring this project and providing helpful insights. This work was developed within the scope of the project CICECO-Aveiro Institute of Materials, POCI-01-0145-FEDER-007679 (FCT ref. UID/CTM/50011/2013), financed by national funds through the FCT/MEC and when appropriate cofinanced by FEDER under the PT2020 Partnership Agreement.