Gas content of binary clathrate hydrates with promoters

Papadimitriou, Nikolaos I.; Tsimpanogiannis, Ioannis N.; Stubos, A.K.

doi:10.1063/1.3160767

Cited by 11 publications

(15 citation statements)

References 58 publications

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“…Furthermore, this model can calculate the occupancies of He and THF in each type of cavity. These occupancies are compared with similar results obtained from Monte Carlo simulations as well as from a different thermodynamic model based on the P−T equilibrium of the hydrate . Very good agreement between the three methods is obtained in the pressure range where single occupancy of the small cavities is dominant.…”

Section: Introductionmentioning

confidence: 59%

“…For an additional evaluation of the aforementioned model, we compare the resulting values for the occupancy of the small cavities with results obtained from GCMC simulations and from the thermodynamic model of Papadimitriou et al The latter model calculates the gas content of promoter-stabilized binary hydrates from the equilibrium data of the binary hydrate and the hydrate of the promoter itself. It must be noted that the three methods are developed independently and have completely different theoretical bases.…”

Section: Resultsmentioning

confidence: 99%

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Experimental and Computational Investigation of the sII Binary He−THF Hydrate

et al. 2011

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The objective of this work is to study the binary He-THF hydrate with both experimental and theoretical approaches. Experimental data for the hydrate equilibrium at pressures up to 12.6 MPa are reported for the binary He-THF hydrate with stoichiometric THF composition (i.e., 5.56 mol % THF). These data are used to calibrate a thermodynamic model [J. Phys. Chem. C2009, 113, 422] for the prediction of hydrate equilibrium that is based on the van der Waals-Platteeuw statistical thermodynamic theory. Then this model is used to extrapolate the obtained experimental data to much higher pressures, and good agreement is observed with other available experimental data at pressures up to 150 MPa. This model is also capable of estimating the cavity occupancies for He and THF. The results show that the large cavities are completely occupied by THF molecules, whereas the small ones are partially occupied by He atoms. The He occupancy of the small cavities is less than 60%, even at high pressures (100 MPa). The occupancies predicted from this model are in close agreement with similar results from molecular simulations and a previously reported thermodynamic approach.

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Section: Introductionmentioning

confidence: 59%

Section: Resultsmentioning

confidence: 99%

Experimental and Computational Investigation of the sII Binary He−THF Hydrate

et al. 2011

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“…A total of 186 experiments (comprising 1149 data points) were collected from the literature ,,,,,,,,− for BTMH equilibrium data. Similarly, 54 experiments (comprising 370 data points) were gathered from the literature ,,− for BHH equilibrium data.…”

Section: Results and Discussionmentioning

confidence: 99%

A New Generalized Empirical Correlation for Predicting Methane Hydrate Equilibrium Conditions in Pure Water

Kummamuru

Perreault

Lenaerts

2021

Ind. Eng. Chem. Res.

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This work contributes to a new generalized empirical correlation for predicting methane (CH 4 ) hydrate equilibrium conditions in pure water. Unlike the conventional thermodynamic approach that involves complex reckoning, the proposed empirical equation is developed by regressing 215 experimental data points from the literature and validating with 45 data points for predicting methane hydrate equilibrium conditions in pure water. The new correlation is proposed for a temperature and pressure range of 273.2−303.48 K and 2.63−72.26 MPa, respectively. The accuracy and performance of the proposed correlation is quantitatively evaluated using statistical error analysis. The proposed correlation was able to estimate CH 4 hydrate equilibrium conditions satisfactorily with an R 2 of 0.99987. The overall error analysis for the proposed correlation shows fair agreement with the experimental data reported within the literature. Concurrently, the new correlation showed better performance in predicting equilibrium conditions compared to those calculated by other empirical correlations available in the literature within the investigated range. In addition, the proposed empirical equation is also checked to evaluate its efficacy in fitting each set of experimental binary/ternary methane hydrates (BTMH) and binary hydrogen hydrates (BHH) for an accurate representation of equilibrium data over a wide range of composition, pressure, and temperature conditions. A maximum percentage deviation of 0.58% and 0.24% was observed between experimental and calculated equilibrium conditions for BTMH and BHH, respectively.

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“…Some models that have been proposed include additional effects such as lattice distortion,13, 14 while others have analyzed equilibrium conditions for H 2 occupancy by Monte Carlo simulation15 and molecular dynamics (MD) simulation 16. Papadimitriou et al17 have proposed changes in the methodology for calculating H 2 occupancy with promoters with the use of equilibrium data.…”

Section: Introductionmentioning

confidence: 99%

Decomposition kinetics and recycle of binary hydrogen‐tetrahydrofuran clathrate hydrate

et al. 2010

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Decomposition kinetics and recycle of hydrogen-tetrahydrofuran (H 2 -THF) clathrate hydrates were investigated with a pressure decay method at temperatures from 265.1 to 273.2 K, at initial pressures from 3.1 to 8.0 MPa, and at stoichiometric THF hydrate concentrations for particle sizes between 250 and 1000 lm. The decomposition was modeled as a two-step process consisting of H 2 diffusion in the hydrate phase and desorption from the hydrate cage. The adsorption process occurred at roughly two to three times faster than the desorption process, whereas the diffusion process during formation was slightly higher (ca. 20%) than that during decomposition. Successive formation and decomposition cycles showed that occupancy seemed to decrease only slightly with cycling and that there were no large changes in hydrate structure due to cycling. Results provide evidence that the formation and decomposition of H 2 clathrate hydrates occur reversibly and that H 2 clathrate hydrates can be recycled with pressure.

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Gas content of binary clathrate hydrates with promoters

Cited by 11 publications

References 58 publications

Experimental and Computational Investigation of the sII Binary He−THF Hydrate

Experimental and Computational Investigation of the sII Binary He−THF Hydrate

A New Generalized Empirical Correlation for Predicting Methane Hydrate Equilibrium Conditions in Pure Water

Decomposition kinetics and recycle of binary hydrogen‐tetrahydrofuran clathrate hydrate

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