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Mathematical modeling of the competitive sorption dynamics of acetone–butanol–ethanol on KA-I resin in a fixed-bed column

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Abstract

The recovery and purification of biobutanol based on the adsorption method were performed in dynamic conditions. Computational and theoretical modeling is an important tool in the characterization, development, and validation of fixed-bed columns. Relevant breakthrough curves provide valuable information for designing fixed-bed adsorption processes for field applications. In the present study, a general rate model (GRM), implementing convection/diffusion approach theory and a competitive isotherm model, was used to predict the competitive sorption dynamics of acetone–butanol–ethanol (ABE) on a KA-I resin in a fixed-bed column under different operating conditions, i.e., inlet feed flow rate, initial adsorbate concentration, and bed height. The model simulation was quantified by the absolute average deviation (AAD). The calculated AAD values, ranging from 0.05 to 0.1, indicated that the GRM gives a general prediction for experimental data. The axial dispersion, external mass transfer, and pore diffusion coefficients were calculated by a series of empirical correlations. Biot number was used to identify the rate controlling step for the adsorption process of ABE on the resin. And the pore diffusion coefficient was found to be major governing factor for adsorption of ABE. The data and modeling presented are valuable for designing the continuous chromatographic separation process and simulation of ABE.

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Abbreviations

A c :

Cross-section area of the fixed-bed column (cm2)

a :

Competitive Langmuir isotherm constant (mL/g)

b :

Competitive Langmuir isotherm constant (L/g)

Bi :

Biot number

C :

Concentration in the liquid phase (g/L)

c i,p :

Liquid phase concentration in the pore (g/L)

c 0 :

Initial adsorbate concentration (g/L)

C :

Dimensionless concentration in the liquid phase

C i,p :

Dimensionless concentration in the pore

d p :

Particle size of the resin (cm)

D ax :

Axial dispersion coefficient (cm2/min)

D m :

Molecular diffusivity (cm2/min)

D pore :

Pore diffusion coefficient (cm2/min)

k film :

External mass transfer coefficient (cm/min)

L c :

Length of the fixed-bed column (cm)

m :

Mass of the used resin (g)

M B :

Molecular weight of water

Pe :

Peclet number

q i,p :

Concentration in the stationary phase (mg/g)

Q f :

Volumetric flow rate of the liquid phase (mL/min)

r :

Radial distance within the adsorbent particle (cm)

r p :

Particle radius (cm)

R :

Dimensionless radial distance

St :

Stanton number

t :

Time (min)

t 1/2 :

Retention time (min), corresponding to half the initial adsorbate concentration

t M :

Dead time of the column (min), (t M  = L c /v)

T :

Operating temperature (K)

x :

Axial coordinate (cm)

X :

Dimensionless axial coordinate

U :

Superficial flow velocity (cm/min)

V :

Volume of the solution (mL)

V i,A :

Molar volume of adsorbate at normal boiling point[mL/(g mol)]

φ :

Association parameter (for water φ is given as 2.6)

ρ p :

Apparent density of the resin (g/mL)

ε b :

Bed porosity

ε p :

Particle porosity

ν :

Interstitial velocity of the liquid phase (cm/min), (v = Q f /(A c ε b ))

η B :

Viscosity of solution (mpa s)

τ :

Dimensionless time

A :

Acetone

B :

Butanol

E :

Ethanol

i :

Sorbate species

out:

Outlet

t :

Time

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Acknowledgments

This work was supported by Program for Changjiang Scholars and Innovative Research Team in University (PCSIRT), National Outstanding Youth Foundation of China (Grant No.: 21025625), 473000, 12KJB530003, 21306086, National High-Tech Research and Development Plan of China (863 Program, 2012AA021202) and Project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD).

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    Authors and Affiliations

    1. State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing, 210009, People’s Republic of China

      Jinglan Wu, Jingwei Zhou, Pengpeng Yang, Wei Zhuang, Yong Chen, Chenjie Zhu, Ting Guo & Hanjie Ying

    2. College of Biotechnology and Pharmaceutical Engineering, Nanjing Tech University, Xin mofan Road 5, Nanjing, 210009, People’s Republic of China

      Pengfei Jiao, Jinglan Wu, Jingwei Zhou, Pengpeng Yang, Wei Zhuang, Yong Chen, Chenjie Zhu, Ting Guo & Hanjie Ying

    3. National Engineering Technique Research Center for Biotechnology, Nanjing, 211816, People’s Republic of China

      Pengfei Jiao, Jinglan Wu, Jingwei Zhou, Pengpeng Yang, Wei Zhuang, Yong Chen, Chenjie Zhu, Ting Guo & Hanjie Ying

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    1. Pengfei Jiao
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    Correspondence to Jinglan Wu or Hanjie Ying.

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    Pengfei Jiao and Jinglan Wu have contributed equally to this work.

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    Jiao, P., Wu, J., Zhou, J. et al. Mathematical modeling of the competitive sorption dynamics of acetone–butanol–ethanol on KA-I resin in a fixed-bed column. Adsorption 21, 165–176 (2015). https://doi.org/10.1007/s10450-015-9659-7

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