Application of PC-SAFT with updated binary interaction parameters in phase equilibrium calculation for supercritical ethylene coordination polymerization system
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Application of PC-SAFT with updated binary interaction parameters in phase equilibrium calculation for supercritical ethylene coordination polymerization system
CHEN Keran, TIAN Zhou, LUO Na, et al. Application of PC-SAFT with updated binary interaction parameters in phase equilibrium calculation for supercritical ethylene coordination polymerization system[J]. CIESC Journal, 2014, (6): 1978-1986.
DOI:
CHEN Keran, TIAN Zhou, LUO Na, et al. Application of PC-SAFT with updated binary interaction parameters in phase equilibrium calculation for supercritical ethylene coordination polymerization system[J]. CIESC Journal, 2014, (6): 1978-1986.DOI: 10.3969/j.issn.0438-1157.2014.06.005.
Application of PC-SAFT with updated binary interaction parameters in phase equilibrium calculation for supercritical ethylene coordination polymerization system
Supercritical olefin coordination polymerization technology is one of the most important progresses in polyolefin industry
and accurate calculation of the binary phase equilibrium of this supercritical system with polymer is the key for the design and operation of this process. In this study
the equation of state of perturbed-chain statistical associating fluid theory (PC-SAFT EOS) with updated parameters is applied to binary phase equilibrium in supercritical ethylene polymerization system. Based on the pure component parameters and phase equilibrium data in literatures
the binary interaction parameters between supercritical fluid-solvent
supercritical fluid-monomer
comonomer (1-butene)
chain transfer agent (hydrogen)
circulation cooling gas (nitrogen) and polymer (PE) are regressed
and calculation results are compared with experimental data in literatures. The results show that re-parameterized PC-SAFT can accurately predict the thermodynamic properties and phase equilibrium of supercritical ethylene coordination polymerization system in a wide range of temperature (340-380 K) and pressure (2.0-7.0 MPa). The PC-SAFT EOS is validated by industrial data. The calculated supercritical fluid mixed density
vapor mixed density
and molar ratio of hydrogen to ethylene agree very well with industrial data for two product grades in the industrial process
with an average error less than 3%. The results provide a solid basis for further simulation and optimization of this supercritical process.