A group contribution method based on nonrandom lattice-hole theory with molecular bulkiness

Park, Byung Heung; Yeom, Min Sun; Yoo, Ki‐Pung; Lee, Chul Soo

doi:10.1007/bf02707079

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Cited by 6 publications

(4 citation statements)

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“…In the present study, ionic liquids are decomposed into groups as shown in Fig. 2 rameters using following relations [34,35].…”

Section: Model and Parametersmentioning

confidence: 99%

See 1 more Smart Citation

Solubility measurement and prediction of carbon dioxide in ionic liquids

Kim¹,

Choi²,

Jang³

et al. 2005

Fluid Phase Equilibria

282

203

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“…In the present study, ionic liquids are decomposed into groups as shown in Fig. 2 rameters using following relations [34,35].…”

Section: Model and Parametersmentioning

confidence: 99%

“…The group surface area parameter, q G q , is obtained from the group segment number, r G q , using the relation [34,35],…”

Section: Model and Parametersmentioning

confidence: 99%

Solubility measurement and prediction of carbon dioxide in ionic liquids

Kim¹,

Choi²,

Jang³

et al. 2005

Fluid Phase Equilibria

282

203

View full text Add to dashboard Cite

“…Table 1 shows the new groups added to the parameter matrix with the corresponding temperature range. Other group parameters were taken from previous publications [15,25,26] when needed. The group size parameter CH 2 -O-CH for propylene oxide was fitted by using pure component properties available in the KDB.…”

Section: Resultsmentioning

confidence: 99%

“…The association contribution used in NLF-HB EOS is formulated in a suitable way for group contribution approaches. Park et al [15] suggested mean values to overcome the incompatibility of the surface area parameters. These considerations forming the foundation for the GC-EOS approach are utilized in this paper.…”

Section: Introductionmentioning

confidence: 99%

Nonrandom lattice fluid group contribution parameter for vapor-liquid equilibrium of esters and their mixtures

Breitholz

Lim

Kang

et al. 2009

Korean J. Chem. Eng.

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A group contribution version of the nonrandom lattice fluid equation of state (NLF-GC EOS) has been used to predict the vapor-liquid phase equilibria (VLE) of esters and their mixtures. The investigated esters were divided into groups according to the contribution scheme. Two different types of parameters were regressed from experimental datasets. Size parameters were fitted to pure component properties, and the group-group energy interaction parameters were simultaneously fitted to several binary mixture data sets. For systems containing propylene oxide, missing binary VLE data was predicted by using the COSMO-RS method. Parameters obtained by using the COSMO-RS method were later used to successfully predict experimentally measured binary propylene oxide+esters systems. The overall good prediction capability of the NLF-GC EOS could be proven for the investigated systems.

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