Modeling gas solubilities in the aqueous solution of methyldiethanolamine

Ying Zhang; Chau Chyun Chen

doi:10.1021/ie102150h

Modeling gas solubilities in the aqueous solution of methyldiethanolamine

Ying Zhang, Chau Chyun Chen

Chemical Engineering

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21 Scopus citations

Abstract

A thermodynamically consistent model recently developed for representing CO₂ solubility in aqueous solutions of methyldiethanolamine is extended to include H₂S and lower hydrocarbons. The electrolyte-nonrandom two-liquid (NRTL) activity coefficient model and the PC-SAFT equation of state are used to represent the liquid phase and the vapor phase nonideality, respectively. The Henrys constant of H₂S in water is fitted to the total pressure data of the H₂S-H₂O binary system. The NRTL binary interaction parameters of the solvent-electrolyte binaries are regressed with the VLE data of the H₂S-H ₂O-MDEA ternary system. The differential heat of H₂S absorption of the H₂S-H₂O-MDEA ternary system and the partial pressures of H₂S and CO₂ of the H ₂S-CO₂-H₂O-MDEA quaternary system are predicted and compared favorably to the experimental data. The Henrys constants of light hydrocarbons in water and MDEA are also determined by fitting the total pressure data of the hydrocarbon-H₂O binary and the hydrocarbon-H ₂O-MDEA ternary systems.

Original language	English
Pages (from-to)	6436-6446
Number of pages	11
Journal	Industrial and Engineering Chemistry Research
Volume	50
Issue number	10
DOIs	https://doi.org/10.1021/ie102150h
State	Published - May 18 2011

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10.1021/ie102150h

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title = "Modeling gas solubilities in the aqueous solution of methyldiethanolamine",

abstract = "A thermodynamically consistent model recently developed for representing CO2 solubility in aqueous solutions of methyldiethanolamine is extended to include H2S and lower hydrocarbons. The electrolyte-nonrandom two-liquid (NRTL) activity coefficient model and the PC-SAFT equation of state are used to represent the liquid phase and the vapor phase nonideality, respectively. The Henrys constant of H2S in water is fitted to the total pressure data of the H2S-H2O binary system. The NRTL binary interaction parameters of the solvent-electrolyte binaries are regressed with the VLE data of the H2S-H 2O-MDEA ternary system. The differential heat of H2S absorption of the H2S-H2O-MDEA ternary system and the partial pressures of H2S and CO2 of the H 2S-CO2-H2O-MDEA quaternary system are predicted and compared favorably to the experimental data. The Henrys constants of light hydrocarbons in water and MDEA are also determined by fitting the total pressure data of the hydrocarbon-H2O binary and the hydrocarbon-H 2O-MDEA ternary systems.",

author = "Ying Zhang and Chen, {Chau Chyun}",

year = "2011",

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doi = "10.1021/ie102150h",

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AU - Chen, Chau Chyun

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N2 - A thermodynamically consistent model recently developed for representing CO2 solubility in aqueous solutions of methyldiethanolamine is extended to include H2S and lower hydrocarbons. The electrolyte-nonrandom two-liquid (NRTL) activity coefficient model and the PC-SAFT equation of state are used to represent the liquid phase and the vapor phase nonideality, respectively. The Henrys constant of H2S in water is fitted to the total pressure data of the H2S-H2O binary system. The NRTL binary interaction parameters of the solvent-electrolyte binaries are regressed with the VLE data of the H2S-H 2O-MDEA ternary system. The differential heat of H2S absorption of the H2S-H2O-MDEA ternary system and the partial pressures of H2S and CO2 of the H 2S-CO2-H2O-MDEA quaternary system are predicted and compared favorably to the experimental data. The Henrys constants of light hydrocarbons in water and MDEA are also determined by fitting the total pressure data of the hydrocarbon-H2O binary and the hydrocarbon-H 2O-MDEA ternary systems.

AB - A thermodynamically consistent model recently developed for representing CO2 solubility in aqueous solutions of methyldiethanolamine is extended to include H2S and lower hydrocarbons. The electrolyte-nonrandom two-liquid (NRTL) activity coefficient model and the PC-SAFT equation of state are used to represent the liquid phase and the vapor phase nonideality, respectively. The Henrys constant of H2S in water is fitted to the total pressure data of the H2S-H2O binary system. The NRTL binary interaction parameters of the solvent-electrolyte binaries are regressed with the VLE data of the H2S-H 2O-MDEA ternary system. The differential heat of H2S absorption of the H2S-H2O-MDEA ternary system and the partial pressures of H2S and CO2 of the H 2S-CO2-H2O-MDEA quaternary system are predicted and compared favorably to the experimental data. The Henrys constants of light hydrocarbons in water and MDEA are also determined by fitting the total pressure data of the hydrocarbon-H2O binary and the hydrocarbon-H 2O-MDEA ternary systems.

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Modeling gas solubilities in the aqueous solution of methyldiethanolamine

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