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Prediction of single component adsorption isotherms on microporous adsorbents

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Abstract

The adsorption of gases on microporous solids is a fundamental physical interaction which occurs in many technical processes, e.g. the heterogeneous catalysis or the purification of gases. In this context the adsorption equilibrium can determine the velocity and/or the capacity of the process. Therefore, it has to be known for designing purposes. The aim of this work has been the a priori prediction of the adsorption equilibria of arbitrary gases on microporous solids like zeolites and active carbon based only on the molecular properties of the adsorptive and the adsorbent. The adsorption isotherm is described completely from the Henry region over the transition zone to the saturation region. The quality of the model permits a first approximation of the planned process without further experimental effort.

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Abbreviations

A :

Dimensionless interaction parameter

C i,j :

Interaction constant in J m6

E :

Potential energy between two molecules or atoms in J

Ha :

Hamaker constant in J

He :

Henry coefficient in mol/(kg Pa)

IL :

Initial or Henry loading

IP :

Interaction parameter

M adsorptive :

Molar mass of the adsorptive in kg/mol

N A :

Avogadro constant

Q :

Quadrupole moment in Cm2

R :

Universal gas constant =8.3143 J/(K mol)

Rm :

Molar refraction in m3/mol

S BET :

BET surface in m2/kg

T :

Temperature in K

T ads :

Adsorption temperature in K

T b :

Normal boiling temperature in K

T c :

Critical Temperature in K

e :

Charge of an electron =1.60×10−19 C

h :

Planck’s constant =6.6256×10−34 J s

k :

Boltzmann constant =1.3804×10−23 J/K

m :

Mass in kg

m e :

Mass of an electron =9.11×10−31 kg

n :

Loading in mol/kg

n :

Refractive index

n a :

Number of atoms in the solid molecule

p :

Pressure in Pa

p ads :

Adsorption pressure at equilibrium in Pa

p c :

Critical pressure in Pa

q :

Charge in C

r :

Distance in m

s :

Number of electron bondings per solid atom

s cations :

Number of positive charged cations per solid atom

v b :

Molar volume at the normal boiling point in m3/mol

v c :

Critical volume in cm3/mol

v micro :

Micropore volume in m3/kg

v solid :

Specific volume in m3/kg

v vdW :

van der Waals volume in m3/mol

x :

Stoichiometric coefficient

x :

Reduced distance

z :

Distance in m

Φ :

Interaction potential of an adsorptive molecule with the solid continuum in J

α :

Polarisability in (C2 m2)/J

α′:

Polarisability volume in m3

β :

London constant in J m6

β :

Molar volume in m3/mol

ε :

Porosity

ε 0 :

Permittivity of free space =8.854×10−12 C/(Vm)

ε r :

Relative permittivity

φ :

Porosity

μ :

Chemical potential in J

μ :

Dipole moment in Cm (1 debye =3.34×10−30 C m)

ν 0 :

Frequency of the electron in the ground state in 1/s

ρ app :

Apparent density in kg/m3

ρ b :

Bulk density in kg/m3

ρ j,at :

Number density of atoms in 1/m3

σ :

van der Waals diameter in m

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Authors and Affiliations

  1. Basell Polyolefines GmbH, Berghauser Weg 50, 85126, Münchsmünster, Germany

    Ugur Akgün

  2. Technische Universität München, Arcisstr. 21, 80333, München, Germany

    Alfons Mersmann

Authors
  1. Ugur Akgün
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  2. Alfons Mersmann
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Correspondence to Ugur Akgün.

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Akgün, U., Mersmann, A. Prediction of single component adsorption isotherms on microporous adsorbents. Adsorption 14, 323–333 (2008). https://doi.org/10.1007/s10450-007-9090-9

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  • DOI: https://doi.org/10.1007/s10450-007-9090-9

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