PREDICTION OF CO2 ADSORPTION ISOTHERMS ON NaY ZEOLITE AT HIGH PRESSURES USING GCMC AND 3D LATTICE GAS MODEL

PREDICTION OF CO2 ADSORPTION ISOTHERMS ON NaY ZEOLITE AT HIGH PRESSURES USING GCMC AND 3D LATTICE GAS MODEL

BRAGA, M. U. C; DE OLIVEIRA, L. H; ARROYO, P. A

Oral:

Determination of CO2 adsorption isotherms at high pressures is important to study its removal from mixtures such as natural gas and biogas. Since realization of high pressure gas adsorption experimental data presents high cost, prediction of adsorption isotherms in these conditions becomes a promising research’s subject. In this work, an adsorption isotherm for CO2 on NaY at 30 °C and pressures up to 40 bar was predicted through Grand Canonical Monte Carlo simulation, 3D lattice gas model and considering the hypothesis that configurational energy is proportional to inverse cube of distance between adsorbate-adsorbent. Predicted isotherm was compared to high pressure experimental data showing relative absolute deviation smaller than 0.2 mol/kg.

Determination of CO2 adsorption isotherms at high pressures is important to study its removal from mixtures such as natural gas and biogas. Since realization of high pressure gas adsorption experimental data presents high cost, prediction of adsorption isotherms in these conditions becomes a promising research’s subject. In this work, an adsorption isotherm for CO2 on NaY at 30 °C and pressures up to 40 bar was predicted through Grand Canonical Monte Carlo simulation, 3D lattice gas model and considering the hypothesis that configurational energy is proportional to inverse cube of distance between adsorbate-adsorbent. Predicted isotherm was compared to high pressure experimental data showing relative absolute deviation smaller than 0.2 mol/kg.

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DOI: 10.5151/cobeq2018-CO.105

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Como citar:

BRAGA, M. U. C; DE OLIVEIRA, L. H; ARROYO, P. A; "PREDICTION OF CO2 ADSORPTION ISOTHERMS ON NaY ZEOLITE AT HIGH PRESSURES USING GCMC AND 3D LATTICE GAS MODEL", p-4488-4491. In: . São Paulo: Blucher, 2018.
ISSN 23591757, DOI 10.5151/cobeq2018-CO.105