Modeling phase behavior of multicomponent mixtures of wood preservatives in supercritical carbon dioxide with cosolvents

A Hassan; K L Levien; Jeffrey J Morrell

doi:10.1016/S0378-3812(00)00448-9

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Modeling phase behavior of multicomponent mixtures of wood preservatives in supercritical carbon dioxide with cosolvents

Journal article

Peer reviewed

Modeling phase behavior of multicomponent mixtures of wood preservatives in supercritical carbon dioxide with cosolvents

A Hassan, K L Levien and Jeffrey J Morrell

Fluid Phase Equilibria, Vol.179(1-2), pp.5-22

2001

DOI: https://doi.org/10.1016/S0378-3812(00)00448-9

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Abstract

Classical Physics

Physical Chemistry (incl. Structural)

Chemical Engineering

model

equation of state

activity coefficient

data

vapor-liquid-liquid equilibria

Significant efforts have been devoted to development of methods for using supercritical fluids, primarily carbon dioxide, to impregnate solid wood and wood composites with biocides for improved resistance to decay. Studies of phase behavior at both supercritical and subcritical (with respect to pure carbon dioxide) temperatures and pressures is an essential part of this development process since they can be used to optimize treatment cycles and help to explain variations in results. Compositions of coexisting phases were measured for a CO2/acetone/TCMTB (2-(thiocyanomethylthio) benzothiazole) system at three sets of temperature and pressure for TCMTB at two levels of purity using a stoichiometric method. The phase behavior of complex SCF solutions is essential for reliable scale-up of these processes, however, such measurements are very time-consuming. Mathematical models were developed in an effort to reduce the number of required experimental studies. This paper presents results of efforts to combine existing simple phase models to predict phase compositions for four different ternary systems including the simplest realistic mixture expected in the wood treatment process: carbon dioxide, a cosolvent and a biocide. The objective of this research was to develop and analyze a simple, theoretically-based model with a minimum number of fitting parameters. To see if such a simple model provided useful results, capabilities of different models were examined and compared for predicting vapor-liquid-liquid equilibria (VLLE) of ternary systems. Two different equations of state and three different mixing rules were used. For the CO2/acetone/TCMTB mixture, models were only successful at conditions far from the critical point.

Details

Title: Modeling phase behavior of multicomponent mixtures of wood preservatives in supercritical carbon dioxide with cosolvents
Authors: A Hassan (Author) - UAE University, United Arab Emirates
K L Levien (Author) - Oregon State University, United States
Jeffrey J Morrell (Author) - Oregon State University, United States
Publication details: Fluid Phase Equilibria, Vol.179(1-2), pp.5-22
Publisher: Elsevier BV
Date published: 2001
DOI: 10.1016/S0378-3812(00)00448-9
ISSN: 0378-3812
Organisation Unit: University of the Sunshine Coast, Queensland; National Centre for Timber Durability and Design Life
Language: English
Record Identifier: 99451357802621
Output Type: Journal article

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Collaboration types: Domestic collaboration; International collaboration
Web Of Science research areas: Chemistry, Physical; Engineering, Chemical; Thermodynamics

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