## Thermodynamic modeling of phase equilibria of semi-clathrate hydrates of CO_{2}, CH_{4}, or N_{2}+tetra-n-butylammonium bromide aqueous solution

Publication: Research - peer-review › Journal article – Annual report year: 2012

### Standard

**Thermodynamic modeling of phase equilibria of semi-clathrate hydrates of CO _{2}, CH_{4}, or N_{2}+tetra-n-butylammonium bromide aqueous solution.** / Eslamimanesh, Ali; Mohammadi, Amir H.; Richon, Dominique.

Publication: Research - peer-review › Journal article – Annual report year: 2012

### Harvard

_{2}, CH

_{4}, or N

_{2}+tetra-n-butylammonium bromide aqueous solution'

*Chemical Engineering Science*, vol 81, pp. 319-328. DOI: 10.1016/j.ces.2012.07.006

### APA

_{2}, CH

_{4}, or N

_{2}+tetra-n-butylammonium bromide aqueous solution.

*Chemical Engineering Science*,

*81*, 319-328. DOI: 10.1016/j.ces.2012.07.006

### CBE

_{2}, CH

_{4}, or N

_{2}+tetra-n-butylammonium bromide aqueous solution. Chemical Engineering Science. 81:319-328. Available from: 10.1016/j.ces.2012.07.006

### MLA

_{2}, CH

_{4}, or N

_{2}+tetra-n-butylammonium bromide aqueous solution".

*Chemical Engineering Science*. 2012, 81. 319-328. Available: 10.1016/j.ces.2012.07.006

### Vancouver

_{2}, CH

_{4}, or N

_{2}+tetra-n-butylammonium bromide aqueous solution. Chemical Engineering Science. 2012;81:319-328. Available from, DOI: 10.1016/j.ces.2012.07.006

### Author

### Bibtex

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### RIS

TY - JOUR

T1 - Thermodynamic modeling of phase equilibria of semi-clathrate hydrates of CO2, CH4, or N2+tetra-n-butylammonium bromide aqueous solution

AU - Eslamimanesh,Ali

AU - Mohammadi,Amir H.

AU - Richon,Dominique

N1 - Highlights. - A thermodynamic model is proposed for investigation of semi-clathrate hydrates. - The studied systems include CO2, CH4, orN2+TBAB aqueous solution. - The vdW–P theory along with two modifications are used for hydrate phase. - The PR EoS and NRTL activity model are applied for modeling the fluid phases. - Promotion/inhibition effects of TBAB can be well determined using the model.

PY - 2012

Y1 - 2012

N2 - Prediction of phase equilibria of semi-clathrate hydrates has been very rarely investigated in the literature. In this work, a thermodynamic model is proposed for representation/prediction of phase equilibria of semi-clathrate hydrates of the CO2, CH4, or N2+tetra-n-butylammonium bromide (TBAB) aqueous solution. For modeling the hydrate phase, the van der Waals–Platteeuw (vdW–P) solid solution theory is used, revised with two modifications for evaluations of Langmuir constants and vapor pressure of water in the empty hydrate lattice, in which these values are supposed to be a function of TBAB concentration in aqueous solution. The Peng–Robinson (PR-EoS) equation of state along with re-tuned parameters of Mathias–Copeman alpha function is applied for calculation of the fugacity of gaseous hydrate former. For determination of the activity coefficient of the non-electrolyte species in the aqueous phase, the Non-Random Two-Liquid (NRTL) activity model is used. To calculate the mean activity coefficients of the electrolyte portion, a correlation on the basis of existing osmotic coefficient and activity coefficient values is employed. It is shown that the presented model results are in acceptable agreement with the experimental semi-clathrate hydrate dissociation data investigated in this work.

AB - Prediction of phase equilibria of semi-clathrate hydrates has been very rarely investigated in the literature. In this work, a thermodynamic model is proposed for representation/prediction of phase equilibria of semi-clathrate hydrates of the CO2, CH4, or N2+tetra-n-butylammonium bromide (TBAB) aqueous solution. For modeling the hydrate phase, the van der Waals–Platteeuw (vdW–P) solid solution theory is used, revised with two modifications for evaluations of Langmuir constants and vapor pressure of water in the empty hydrate lattice, in which these values are supposed to be a function of TBAB concentration in aqueous solution. The Peng–Robinson (PR-EoS) equation of state along with re-tuned parameters of Mathias–Copeman alpha function is applied for calculation of the fugacity of gaseous hydrate former. For determination of the activity coefficient of the non-electrolyte species in the aqueous phase, the Non-Random Two-Liquid (NRTL) activity model is used. To calculate the mean activity coefficients of the electrolyte portion, a correlation on the basis of existing osmotic coefficient and activity coefficient values is employed. It is shown that the presented model results are in acceptable agreement with the experimental semi-clathrate hydrate dissociation data investigated in this work.

KW - Semi-clathrate hydrate

KW - TBAB

KW - Thermodynamic model

KW - Carbon dioxide

KW - Methane

KW - Nitrogen

U2 - 10.1016/j.ces.2012.07.006

DO - 10.1016/j.ces.2012.07.006

M3 - Journal article

VL - 81

SP - 319

EP - 328

JO - Chemical Engineering Science

T2 - Chemical Engineering Science

JF - Chemical Engineering Science

SN - 0009-2509

ER -