LAPSE:2019.0546v1
Published Article

LAPSE:2019.0546v1
Simulation Study on the Influence of Gas Mole Fraction and Aqueous Activity under Phase Equilibrium
May 16, 2019
Abstract
This work explored the influence of gas mole fraction and activity in aqueous phase while predicting phase equilibrium conditions. In pure gas systems, such as CH₄, CO₂, N₂ and O₂, the gas mole fraction in aqueous phase as one of phase equilibrium conditions was proposed, and a simplified correlation of the gas mole fraction was established. The gas mole fraction threshold maintaining three-phase equilibrium was obtained by phase equilibrium data regression. The UNIFAC model, the predictive Soave-Redlich-Kwong equation and the Chen-Guo model were used to calculate aqueous phase activity, the fugacity of gas and hydrate phase, respectively. It showed that the predicted phase equilibrium pressures are in good agreement with published phase equilibrium experiment data, and the percentage of Absolute Average Deviation Pressures are given. The water activity, gas mole fraction in aqueous phase and the fugacity coefficient in vapor phase are discussed.
This work explored the influence of gas mole fraction and activity in aqueous phase while predicting phase equilibrium conditions. In pure gas systems, such as CH₄, CO₂, N₂ and O₂, the gas mole fraction in aqueous phase as one of phase equilibrium conditions was proposed, and a simplified correlation of the gas mole fraction was established. The gas mole fraction threshold maintaining three-phase equilibrium was obtained by phase equilibrium data regression. The UNIFAC model, the predictive Soave-Redlich-Kwong equation and the Chen-Guo model were used to calculate aqueous phase activity, the fugacity of gas and hydrate phase, respectively. It showed that the predicted phase equilibrium pressures are in good agreement with published phase equilibrium experiment data, and the percentage of Absolute Average Deviation Pressures are given. The water activity, gas mole fraction in aqueous phase and the fugacity coefficient in vapor phase are discussed.
Record ID
Keywords
activity, gas mole fraction, phase equilibrium, threshold value, UNIFAC
Subject
Suggested Citation
Zhao W, Wu H, Wen J, Guo X, Zhang Y, Wang R. Simulation Study on the Influence of Gas Mole Fraction and Aqueous Activity under Phase Equilibrium. (2019). LAPSE:2019.0546v1
Author Affiliations
Zhao W: Henan Province Engineering Laboratory for Eco-architecture and the Built Environment, Henan Polytechnic University, Jiaozuo 454000, China
Wu H: Henan Province Engineering Laboratory for Eco-architecture and the Built Environment, Henan Polytechnic University, Jiaozuo 454000, China
Wen J: School of Mechanical and Power Engineering, Henan Polytechnic University, Jiaozuo 454000, China
Guo X: Henan Province Engineering Laboratory for Eco-architecture and the Built Environment, Henan Polytechnic University, Jiaozuo 454000, China
Zhang Y: Henan Province Engineering Laboratory for Eco-architecture and the Built Environment, Henan Polytechnic University, Jiaozuo 454000, China [ORCID]
Wang R: School of Mechanical and Power Engineering, Henan Polytechnic University, Jiaozuo 454000, China
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Wu H: Henan Province Engineering Laboratory for Eco-architecture and the Built Environment, Henan Polytechnic University, Jiaozuo 454000, China
Wen J: School of Mechanical and Power Engineering, Henan Polytechnic University, Jiaozuo 454000, China
Guo X: Henan Province Engineering Laboratory for Eco-architecture and the Built Environment, Henan Polytechnic University, Jiaozuo 454000, China
Zhang Y: Henan Province Engineering Laboratory for Eco-architecture and the Built Environment, Henan Polytechnic University, Jiaozuo 454000, China [ORCID]
Wang R: School of Mechanical and Power Engineering, Henan Polytechnic University, Jiaozuo 454000, China
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Journal Name
Processes
Volume
7
Issue
2
Article Number
E58
Year
2019
Publication Date
2019-01-22
ISSN
2227-9717
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Original Submission
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PII: pr7020058, Publication Type: Journal Article
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LAPSE:2019.0546v1
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https://doi.org/10.3390/pr7020058
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[v1] (Original Submission)
May 16, 2019
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May 16, 2019
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v1
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Record Owner
Calvin Tsay
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