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Estimation of Structural Parameters of Protic Ionic Liquids for Activity Coefficient Models and Calculations of LLE Phase Diagrams

  • STRUCTURE OF MATTER AND QUANTUM CHEMISTRY
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Abstract

Modeling liquid–liquid equilibrium (LLE) is essential for optimizing the operation and safety of chemical engineering processes. Therefore, some researchers have investigated the modelling of ternary systems containing protic ionic liquids. In most cases, thermodynamic modeling was performed using the non-random two-liquid model (NRTL) for its simplicity and the absence of structural parameters. UNIQUAC model has also been used, but the structural parameters of protic ionic liquids are still scarce. In this work, the area and volume parameters were calculated by Connolly’s method. The parameters obtained were used to correlate LLE data for thirteen ternary systems, among these we can high light (m-2HEAA, m-2HEABor, m-2HEAH) + DBT+ dodecane. Therefore, the estimated structural parameters allowed to generate seventy-eight interaction parameters between the solvent and the ionic liquid. New structural parameters protic ionic liquids were estimated. The results are shown with standard deviations between the calculated and experimental compositions with satisfactory results.

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ACKNOWLEDGMENTS

Most sincere thanks to the Department of Petroleum Engineering of the Federal University of Alagoas and Tiradentes University Center for their dedicated assistance in field and laboratory work.

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Authors and Affiliations

  1. Centro Universitário Tiradentes (UNIT), Av. Comendador Gustavo Paiva, 5017 – Cruz das Almas, Maceió – AL, 57038-000, Maceió-Al, Brazil

    Dheiver Santos

  2. Federal University of Alagoas, Department of Petroleum Engineering, 57072-970, Maceió-Al, Alagoas, Brazil

    Dheiver Santos

  3. Department of Physics, Koneru Lakshmaiah Education Foundation, Andhra Pradesh, 522 502, Guntur, India

    Shaik Babu

Authors
  1. Dheiver Santos
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  2. Shaik Babu
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Correspondence to Dheiver Santos or Shaik Babu.

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Dheiver Santos, Shaik Babu Estimation of Structural Parameters of Protic Ionic Liquids for Activity Coefficient Models and Calculations of LLE Phase Diagrams. Russ. J. Phys. Chem. 93, 1312–1316 (2019). https://doi.org/10.1134/S0036024419070069

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