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Experimental and computational phase behavior analysis of the PGME+CO2 and PGMEA+CO2 mixture at high pressures

  • Separation Technology, Thermodynamics
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Abstract

The vapor+liquid equilibrium (VLE) for the 2-components of propylene glycol monomethyl ether (PGME) and propylene glycol monomethyl ether acetate (PGMEA) in high pressure (HP) supercritical carbon dioxide (S-CO2) was evaluated. The solubility data determination was performed by the synthetic method at T=(313.2 to 393.2) K and p=(1.92 to 16.5) MPa. The obtained results indicated that the solubility of S-CO2 was found to increase monotonically with the increase of system temperature and mole fraction of PGME and PGMEA in binary (solute+solvent) mixtures. The solubility curve of PGME and PGMEA in the PGME+S-CO2 and PGMEA+S-CO2 models increases in connection with the increasing T at a steady pressure. The PGME+S-CO2 and PGMEA+S-CO2 models reveal type-I phase behavior (PB). The critical properties were achieved by Joback and Aspen plus method. Moreover, the experimental result adequately correlated with the Peng-Robinson equation of state (P-R E-O-S). Root mean square deviation (RMSD) for the PGME+S-CO2 [Joback: kij=0.0, hij=−0.060, Aspen: kij=0.0, hij=−0.065] and PGMEA+S-CO2 [Joback: kij=0.0, hij=0.0, Aspen: kij=0.0, hij=0.0] systems using two factors determined at 353.2 K was 9.07% (Joback), 10.98% (Aspen) and 4.03% (Joback), 4.78% (Aspen), respectively.

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Abbreviations

a:

fascination factor [Pa-m6/mol2]

b:

Co-volume factor [m3/mol]

BP:

bubble point [MPa]

CP:

critical point

DP:

dew point

N:

number of the data points

P:

pressure [Pa]

R:

universal gas constant [8.314462 J/(mol·K)]

T:

temperature [K]

v:

molar volume [m3·mol−1]

x:

liquid phase mole fractions

α :

alpha function

ω :

acentric factor

E-O-S :

equation of state

OF :

objective function

P-R :

Peng-Robinson

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Acknowledgements

This research was supported by Ministry of Trade, Industry & Energy (MOTIE), Korea Institute for Advancement of Technology (KIAT) through “A supporting program for the middle market enterprises in each region” (No. P0017536).

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Author notes

  1. First and second authors contributed equally.

Authors and Affiliations

  1. Department of Chemical and Biomolecular Engineering, Chonnam National University, Yeosu, Jeonnam, 59626, Korea

    Young-Taek Kwon, Duraisami Dhamodharan & Hun-Soo Byun

  2. Jaewon Industrial Co., Yeosu, Jeonnam, 59618, Korea

    Hwan Choi & Sung-Won Shim

Authors
  1. Young-Taek Kwon
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  2. Duraisami Dhamodharan
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  3. Hwan Choi
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  5. Hun-Soo Byun
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Correspondence to Hun-Soo Byun.

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Kwon, YT., Dhamodharan, D., Choi, H. et al. Experimental and computational phase behavior analysis of the PGME+CO2 and PGMEA+CO2 mixture at high pressures. Korean J. Chem. Eng. 39, 2783–2791 (2022). https://doi.org/10.1007/s11814-022-1110-7

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  • DOI: https://doi.org/10.1007/s11814-022-1110-7

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