Setembro 2018 vol. 1 num. 5 - XXII Congresso Brasileiro de Engenharia Química

Pôster - Open Access.

Idioma principal

Influence of the Objective Function on Parameter Estimation for VLE Calculation of a Binary System

YOUNG, A. F; PESSOA, F. L. P; AHÓN, V. R. R; , ;

Pôster:

When different objective functions are used in parameter estimation, quite different results can be obtained for the same system. In this work, to exemplify this issue, the vapor-liquid equilibrium (VLE) of the tetrachloromethane - acetic acid system was modeled with a ϕ-ϕ approach by means of EoS/G E type models. The models combine the potentialities of the Peng-Robinson cubic equation of state and the UNIQUAC local composition model through three different mixing rules: HeidemannKokal, LCVM and Wong-Sandler. The binary interaction parameters of the UNIQUAC model were estimated taking into account or not the molar fraction of both components in the vapor phase. The performance of these models was then compared with the performance of the traditional Peng-Robinson equation. The results obtained with the two objective functions were shown to be different not only quantitatively but also qualitatively. In this way, it is demonstrated that it is very important to be attentive to the choice of the objective function so that the results of the modeling could be correctly analyzed.

Pôster:

Palavras-chave: Binary System,

Palavras-chave:

DOI: 10.5151/cobeq2018-PT.1009

Referências bibliográficas
  • [1] YOUNG AF, MAGALHÃES GDB, PESSOA FLP, AHÓN VRR, Vapor-Liquid Equilibrium of
  • [2] Binary Systems with EoS/GE Models at Low Pressure: Revisiting the Heidemann-Kokal Mixing
  • [3] Rule. Fluid Phase Equilib., 2018, in press.
  • [4] KONTOGEORGIS GM, FOLAS GK, Thermodynamic Models for Industrial Aplications: from
  • [5] classical and advanced mixing rules to association theories, John Wiley & Sons, Inc., West Sussex,
  • [6] United Kingdom, 2010.
  • [7] PLEKHOTKIN VF, MARKUZIN NP, Liquid-Liquid Equilibrium Ternary System Triethyl amineMethane-Acetic
  • [8] acid, Fis. Khim. Svoistva Rastvorov, Leningrad, USSR, 1964.
  • [9] ORBEY H, SANDLER, SI, Reformulation of Wong-Sandler mixing rule for cubic equations of
  • [10] state, AIChE J., v. 41, p. 683–690, 1995.
  • [11] YOUNG AF, PESSOA FLP, AHÓN VRR, Comparison of 20 Alpha Functions Applied in the PengRobinson
  • [12] Equation of State for Vapor Pressure Estimation, Ind. Eng. Chem. Res., v. 55, p. 6506–
  • [13] 6516, 2016.
Como citar:

YOUNG, A. F; PESSOA, F. L. P; AHÓN, V. R. R; , ; "Influence of the Objective Function on Parameter Estimation for VLE Calculation of a Binary System", p. 3833-3836 . In: . São Paulo: Blucher, 2018.
ISSN 2359-1757, DOI 10.5151/cobeq2018-PT.1009

últimos 30 dias | último ano | desde a publicação


downloads


visualizações


indexações