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Modeling adsorption in binary associating solvents using the extended MPTA model

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Abstract

Application of the MPTA model has been extended to associative liquid adsorption. The MPTA model describes fluid–fluid interactions using an equation of state (EoS) term, and fluid–solid interactions using a potential equation. In order to extend the application to associative liquid adsorption, an association term has been considered for fluid–fluid interactions. Sixteen binary mixtures containing associating and non-associating components in equilibrium with various adsorbents have been studied; fluid–fluid interactions have been modeled using the Peng–Robinson, Soave–Redlich–Kwong, volume-translated SRK and CPA equations of state, while the effects of fluid–solid interactions have been taken into account using Dubinin–Radushkevich–Astakhov (DRA) and Steele potential functions. The model parameters have been obtained by fitting the model to experimental data on surface excess. For the studied systems, the accuracy of fitted isotherms has been found to be more dependent on the fluid–solid potential equation rather than the applied EoS. Calculations show that the SRK equation is a suitable choice for non-associating systems, while the CPA equation is found to be more appropriate for associating systems, as would be expected. The results also show that the Steele potential function is in better agreement with experimental data than the DRA potential function.

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Abbreviations

AARD :

Average absolute relative deviation, \(\frac{100}{N}\sum {\left| {\frac{{n_{i}^{e,\exp } - n_{i}^{e,calc} }}{{n_{i}^{e,\exp } }}} \right|}\)

N :

Number of experimental data

P :

Pressure (bar)

P(z):

Pressure at given z value (bar)

x B :

Mole fraction of bulk phase

x(z):

Mole fraction of adsorbed phase at given z value

z :

Distance (cm) or pore volume (cm3/gads)

ε i :

Adsorption potential of “i” specie (J/mol)

φ i :

Fugacity coefficient of “i” specie

μ i :

Chemical potential of “i” specie (J/mol)

ρ(z):

Density of adsorbed phase at given z value

ρ B :

Density of bulk phase

\(\varGamma_{i}^{(n)}\) :

Surface excess of “i” specie (mol/gads)

AARD:

Absolute average relative deviation

ASST:

Adsorbate solid solution theory

CPA:

Cubic plus association

DRA:

Dubinin–Radushkevich–Astakhov

EoS:

Equation of state

IAST:

Ideal adsorbed solution theory

MPTA:

Multicomponent potential theory of adsorption

PAH:

Polycyclic aromatic hydrocarbon

PR:

Peng–Robinson

PTA:

Potential theory of adsorption

RAST:

Real adsorbed solution theory

SRK:

Soave–Redlich–Kwong

VOC:

Volatile organic compound

VST:

Vacancy solution theory

VT-SRK:

Volume translated Soave–Redlich–Kwong

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Acknowledgments

The authors appreciate precious assistance from Professor Alexander A. Shapiro and wish to acknowledge his hints and co-operation.

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Authors and Affiliations

  1. Thermodynamics Research Laboratory, School of Chemical Engineering, Iran University of Science and Technology, Narmak, 16846-13114, Tehran, Iran

    Ali Asghar Naseri, Mohammad Reza Dehghani & Bahman Behzadi

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  1. Ali Asghar Naseri
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  2. Mohammad Reza Dehghani
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Correspondence to Mohammad Reza Dehghani.

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Naseri, A.A., Dehghani, M.R. & Behzadi, B. Modeling adsorption in binary associating solvents using the extended MPTA model. Adsorption 20, 555–563 (2014). https://doi.org/10.1007/s10450-013-9600-x

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