Published on: Mar 3, 2016
Transcripts - Nadeen_PSRS_2015
Ø Therefore, a big concern has been raised for CO2 depletion, and the development of
relevant CO2 capture technologies are in demand in order to reduce CO2 emission and
accordingly the average atmospheric CO2 level to 350 ppmv,4 and also to reduce CO2’s
contribution to the global warming from 60% to 19% by 2050.2
Corresponding Author Contact Details:
Dr Xiaolei Fan
School of Chemical Engineering and Analytical Science (SCEAS)
The University of Manchester
Manchester M13 9PL
The University of Manchester
School of Chemical Engineering and Analytical Science
Engineering novel metallic-organic-frameworks (MOFs)
for selective carbon dioxide capture from flue gases
Nadeen Al-Janabi, Flor Siperstein, Xiaolei Fan*
Ø Flue gas (emitted at 50~75ºC and 1 bar, with 5~15 vol% CO2,
5~7 vol% H2O and N2)1, 2 is one of the main sources of CO2
Ø In this work, investigation was carried out to evaluate and modify
a benchmark metallic-organic-framework (HKUST-1) for
selective CO2 sorption from flue gases. Experimental tests of the
adsorption ability and hydrothermal stability of HKUST-1 were
performed, in addition to molecular simulation studies.
Ø The Intergovernmental Panel on Climate Change (IPCC) predicted that, by the year of 2100, the
amount of CO2 in the atmosphere may reach a value up to 570 ppmv, which can cause the mean
global temperature to arise by 1.9°C and the mean sea level to increase by 3.8 m.3, 4
2. Gas and vapour adsorption
Grand Canonical Monte Carlo (GCMC) simulation of carbon dioxide and
water adsorption onto HKUST-1
Ø Hydrothermal stability of porous adsorbents
is a key design parameter for adsorption with
wet streams. Experimental results show that
HKUST-1 decompose at 50ºC with 70%
Ø GCMC simulation showed that water prefers
to adsorb adjacent to the copper sites in the
primary pores, while CO2 prefers to adsorb in
In order to (i) enhance the selectivity of CO2 over N2 which is the main constituent in
the flue gases, and to (ii) reduce the adsorption capacity of water vapour i.e. improve
the hydrothermal stability of HKUST-1, glycine molecules were attached to the
copper sites of HKUST-1 to form a novel MOF (Gly-HKUST-1).
CO2 adsorption on HKUST-1 and Gly-HKUST-1
3. Hydrothermal stability
Ø Adsorption selectivity to water
molecules is reduced significantly after
modification, i.e. ca. 33mmol/g for
HKUST-1 vs. 6 mmol/g for Gly-
Ø Adsorption isotherm change from Type
II to Type I after modification,
indicating exclusion of water
molecules adsorption from the primary
pores of Gly-HKUST-1.
Vapour adsorption at 25°C and atmospheric pressure
Vapour adsorption at 50°C and atmospheric pressure
Ø HKUST-1 decompose and lose its
porous structure at 50°C when the
relative humidity is high (> 70%), i.e.
unsatisfactory moisture stability for
potential practical application.
Ø The accumulation of water molecules
in the primary pores of HKUST-1is
suspected to displace the organic
ligands from the Cu centres.
Ø Moisture stability is improved by using
glycine to modify HKUST-1.
4. Conclusions and future work
ü Facile method for post-synthesis modification of HKUST-1 was developed.
ü Developed Gly-HKUST-1 showed better moisture stability and lower water vapour
adsorption uptake than original HKUST-1.
Ø The effect of glycine loading on adsorption capacity and selectivity will be investigated.
Ø Structure details of Gly-HKUST-1 will be established by using different characterisation
1. Sabouni et al. Environmental science and pollution research international,
2014, 21, 5427-5449.
2. Yu and Tan, Aerosol and Air Quality Research, 2012, 12, 745–769.
3. Mondal et al., Energy, 2012, 46, 431-441.
4. Hansen et al., The Open Atmospheric Science Journal, 2008, Vol. 2, 217-231.
The CO2 adsorption capacity of the Gly-HKUST-1 was found to be dependent on the
amount of glycine loaded onto the HKUST-1. The more the glycine used the lower CO2
adsorption capacity, which can be attributed to the blockage of the pores by the possible
agglomeration of glycine. The Table below shows the adsorption capacity of CO2 of Gly-
HKUST-1 with two different loadings of glycine in comparison to HKUST-1 sample.
Sample CO2 adsorption capacity at 1bar and 25˚C
HKUST-1 / original sample 5.1
Gly-HKUST-1 (50 wt% of glycine used) 2.1
Gly-HKUST-1 (20 wt% of glycine used) 3.6
: Chemical structure of CO2