Application of Surface Tension Model for Prediction of Interfacial Speciation of CO2-Loaded Aqueous Solutions of Monoethanolamine

Naser S. Matin, Janice A. Steckel, Jesse Thompson, Moushumi Sarma, Kunlei Liu

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

A thermodynamic platform in combination with experimental surface tension data is used to predict the surface phase speciation of CO2-loaded aqueous solutions of 30 wt % (%) monoethanolamine (MEA) at 20, 40, and 60 °C from their corresponding bulk phase speciation. The osmotic coefficient dependency of the surface tension of an electrolyte solution has been employed to estimate the surface tension. In order to calculate the osmotic coefficients, the Pitzer equation for the excess Gibbs energy was applied. According to the results of this study, molecular MEA and to some extent protonated MEA and the MEA-carbamate have surface propensity and will accumulate at the surface phase. The carbonate ion shows nearly even distribution between bulk and surface phases, and bicarbonate displays a tendency to remain in the bulk phase that increases with CO2 loading. The differences in the behaviors of protonated MEA, MEA-carbamate, carbonate, and bicarbonate are due to differences among their sizes and polarizabilities. Using first-principles calculations, the static isotropic dipole polarizabilities for bicarbonate, carbonate, MEA carbamate, and protonated MEA were calculated. The bulk and surface phases' ionic strengths reasonably represent this behavior of ionic species at the surface phase.

Original languageEnglish
Pages (from-to)5747-5755
Number of pages9
JournalIndustrial and Engineering Chemistry Research
Volume56
Issue number19
DOIs
StatePublished - May 17 2017

Bibliographical note

Publisher Copyright:
© 2017 American Chemical Society.

ASJC Scopus subject areas

  • General Chemistry
  • General Chemical Engineering
  • Industrial and Manufacturing Engineering

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