Data Sheet 1

Supporting Information
Functionalized UiO-66-NH2 by Trimellitic Acid for

Highly Selective Adsorption of Basic Blue 3 from
Aqueous Solutions
Tingting Wang1,2,3,4, Lin Han1,2,3,4, Xin Li1,2,3,4, Tianen Chen2,5, Shifeng Wang1,2,3,*
1
Innovation Laboratory of Materials for Energy and Environment Technologies, Tibet University,
Lhasa 850000, China
2
Hofmann Institute of Advanced Materials, Shenzhen Polytechnic, Shenzhen 518055, P. R. China
3
Institute of Oxygen Supply, Everest Research Institute, Tibet University, Lhasa 850000, China
4
Key Laboratory of Cosmic Rays (Tibet University), Ministry of Education, Lhasa 850000, China
5
School of Chemical Engineering, University of Science and Technology Liaoning, Liaoning
114051, China;
*To whom correspondence should be addressed. E-mail: wsf@utibet.edu.cn
2.4. Adsorption experiment

The adsorbed amount qe (mg/g) of the BB3 was calculated by equation (1)1:
(1)
where qe is the adsorption amount of adsorbent (mg/g), C0 and Ce are the initial and equilibrium
concentrations (mg/L) of BB3, respectively; m is on behalf of the mass of adsorbent (g) and V is
in the name of the volume of solution (mL).
To study the adsorption kinetics of BB3 on UiO-66-TLA, 30 mg of UiO-66-TLA and 30 mL of
300 mg/L BB3 solution reacted for a certain time (2, 5, 10, 30, 60, 90, 120, 150, 180 s). The
obtained data was fitted with pseudo first-order (Eq.2) 2, pseudo-second-order (Eq.3)3 and intra-
particle diffusion (Eq.4)4 models. The calculation formula is as follows:
pseudo first-order Eq.2:
(2)
pseudo-second-order Eq.3:
t 1 1
= + t
qt k 2 q 2 q e
e (3)
intra-particle diffusion Eq.4:
(4)
where kid (mg g-1 min-1/2) is the rate constant. By plotting qt against t1/2, a linear straight line can be
obtained. The values of C and kid are the intercept and slope of the line, respectively. The line
graph of qt versus t1/2 can be divided into three stages: the first stage represents the diffusion of the
adsorbate to the outer surface of the adsorbent; the second stage represents the slow intraparticle
diffusion process, and the third stage represents the equilibrium state. A higher correlation
coefficient (R2) can indicate that the intraparticle diffusion process plays a role in the adsorption5.
The isotherm study is to take 30 mg adsorbent and 30 mL BB3 solution to react for 2 h, and the
BB3 concentration range is 100–500 mg/L. It is fitted and analyzed by Langmuir, Freundlich and
Temkin models.
The Langmuir isotherm can be described by Eq.5: assume monolayer adsorption on a uniform
surface6.
(5)
The Freundlich isotherm can be described by Eq.6: multilayer adsorption on uneven surfaces7.
(6)
The Redlich-Peterson isotherm can be described by Eq.78:
(7)
In order to explore the adsorption of BB3 by UiO-66-TLA at different temperatures, the

thermodynamic parameters were studied at three temperatures of 298, 313 and 328 K, for
example enthalpy change (ΔH, endothermic or exothermic process), entropy change (ΔS, the
disorder of the system) and Gibbs energy (ΔG, the spontaneity of the adsorption process)
changes are all used to describe the thermodynamic characteristics of the adsorption process
(equation 8、9)9,10.
ΔS ° ΔH °
ln K L= − ΔG °=−RT ln K L
R RT (8)
(9)
where KL (L mol-1) is the Langmuir constant. R is 8.3145 J (mol K) -1 and T is temperature
(K)11. By plotting lnKL against 1/T, the slope and intercept of the resulting line correspond to
ΔH。and ΔS。respectively.
References
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decorated with Ni/Co-MOF for rapid and highly efficient tetracycline hydrochloride removal. Chemical
Engineering Journal (2019) 375: 122076.
2. Rudzinski W, Plazinski W. Kinetics of solute adsorption at solid/aqueous interfaces: searching for
the theoretical background of the modified pseudo-first-order kinetic equation. Langmuir (2008)
24(10): 5393-5399.
3. Regazzoni A E. Adsorption kinetics at solid/aqueous solution interfaces: on the boundaries of the
pseudo-second order rate equation. Colloids and Surfaces A: Physicochemical and Engineering Aspects
(2020) 585: 124093.
4. Li A, Deng H, Ye C, Jiang Y. Fabrication and characterization of novel ZnAl-layered double
hydroxide for the superadsorption of organic contaminants from wastewater. ACS omega (2020) 5(25):
15152-15161..
5. Afzal S, Rahimi A, Ehsani M R, Tavakoli H. Experimental study of hydrogen fluoride adsorption
on sodium fluoride. Journal of Industrial and Engineering Chemistry (2010) 16(1): 147-151.
6. Guo X, Wang J. Comparison of linearization methods for modeling the Langmuir adsorption
isotherm. Journal of Molecular Liquids (2019) 296: 111850..
7. Ezzati R. Derivation of pseudo-first-order, pseudo-second-order and modified pseudo-first-order
rate equations from Langmuir and Freundlich isotherms for adsorption. Chemical Engineering Journal
(2020) 392: 123705.
8. Bolis V, Morterra C, Fubini B, Ugliengo P, Garrone E. Temkin-type model for the description of
induced heterogeneity: CO adsorption on group 4 transition metal dioxides. Langmuir (1993) 9(6):
1521-1528.
9. Foo K Y, Hameed B H. Insights into the modeling of adsorption isotherm systems. Chemical
engineering journal (2010) 156(1): 2-10.
10. Li Y H, Di Z, Ding J, Wu D, Luan Z, Zhu Y. Adsorption thermodynamic, kinetic and desorption
studies of Pb2+ on carbon nanotubes. Water research (2005) 39(4): 605-609.
11. Hong S, Wen C, He J, Gan F, Ho Y. Adsorption thermodynamics of methylene blue onto
bentonite. Journal of hazardous materials (2009) 167(1-3): 630-633.
12. Liu Y. Is the free energy change of adsorption correctly calculated?[J]. Journal of Chemical &
Engineering Data (2009) 54(7): 1981-1985.
Figure S1. 1HNMR spectra of UiO-66-TLA, UiO-66-NH2 and trimellitic acid.
Figure S2. Reusability of UiO-66-TLA in different cycles.

Figure S3. Effect of the initial BB3 concentration on the adsorption capacity of UiO-66-NH2 at
298 K (A); Langmuir (B), Freundlich (C) and Redlich Peterson models (D).
Table S1. Kinetic parameters for the adsorption of BB3 on UiO-66-TLA.
Pseudo-first-order Pseudo-second-order Intra-particle diffusion

Adsorbent qe,exp
qe,cal k1 (10-2) R2 SSE qe,cal k2 (10-3) k2qe R2 SSE (10-4) kid C (102) R2 SSE
UiO-66-TLA 225.761 0.8905 4.985 6.994

101.4281 3.016 3.4202 7.1778 4.35 0.0312 0.99916 4.9553 1.6938 0.9327
4 8 6 2
qe, exp (mg g-1), qe, cal (mg g-1), k1 (min-1), k2 (g mg-1 min-1), kid (mg g-1 min1/2), C (mg g-1)
Table S2. Adsorption isotherm constants for adsorption of BB3 on UiO-66-TLA.
Langmuir Freundlich Redlich Peterson
Adsorbent Temperature
qmax KL R2 Kf n R2 a b g R2
298 K 283.8230 0.0433 0.8590 61.0314 3.6234 0.8364 0.9013 2.21*10-7 2.4172 0.9938
UiO-66-TLA 313 K 258.2467 0.06594 0.7052 69.4548 4.0668 0.9573 0.9905 3.46*10-5 1.63 0.9907
328 K 285.7342 0.0446 0.8623 64.8355 3.7270 0.9813 1.6536 1.12*10-2 1.10 0.9953
qmax (mg g-1), KL (L mg-1), Kf (mg g-1), a (L g-1), b (J mol-1)
Table S3. The elemental analysis results (wt. %) of UiO-66-NH2, UiO-66-TLA and UiO-66-TLA-BB3.
Sample C N O Zr Cl
UiO-66-NH2 42.77 4.80 27.42 25.01 -
UiO-66-TLA 41.16 4.92 21.23 32.69 -
UiO-66-TLA-BB3 45.07 5.78 23.45 25.51 0.19
Table S4. Adsorption isotherm constants for adsorption of BB3 on UiO-66-NH2.
Langmuir Freundlich Redlich Peterson
Adsorbent Temperature
qmax KL R2 Kf n R2 a b g R2
UiO-66-NH2 298 K 165.9745 0.05018 0.9951 48.5567 4.777 0.9112 8.8945 0.05956-7 0.9815 0.9945
qmax (mg g-1), KL (L mg-1), Kf (mg g-1), a (L g-1), b (J mol-1)

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Supporting Information

Functionalized UiO-66-NH2 by Trimellitic Acid for

2.4. Adsorption experiment

intra-particle diffusion Eq.4:

In order to explore the adsorption of BB3 by UiO-66-TLA at different temperatures, the

Figure S2. Reusability of UiO-66-TLA in different cycles.

Pseudo-first-order Pseudo-second-order Intra-particle diffusion

UiO-66-TLA 225.761 0.8905 4.985 6.994

Table S2. Adsorption isotherm constants for adsorption of BB3 on UiO-66-TLA.

Langmuir Freundlich Redlich Peterson

Table S4. Adsorption isotherm constants for adsorption of BB3 on UiO-66-NH2.

Langmuir Freundlich Redlich Peterson

qmax (mg g-1), KL (L mg-1), Kf (mg g-1), a (L g-1), b (J mol-1)

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