Seminar

Seminar

Modeling of chemical and physical processes: towards a quantitative engineering approach– practical applications/ Defect creation via synthesis procedure in metal-organic frameworks

  • POSTED DATE : 2016-10-25
  • WRITER : 관리자
  • HIT : 3585
  • DATE : 2016-10-26
  • PLACE : 화학관 330118호

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<세미나1>

제  목 : Modeling of chemical and physical processes: towards a quantitative engineering approach– practical applications

연  사 : Prof. Phillipe Heynderickx(GHENT UNIVERSITY)


<세미나2>

제  목 : Defect creation via synthesis procedure in metal-organic frameworks

연  사 : Prof. Francis.Verpoort(GHENT UNIVERSITY)


일  시 : 2016년 10월 26일(수) 오후 2시 30분

장  소 : 화학관 첨단강의실 (330118호실)

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<세미나1>


Modeling of chemical and physical processes: towards a quantitative engineering approach
– practical applications


In the early days, researchers were relying on performed experiments to describe reality via
laboratory tests. For example in catalysis (blue triangle in given figure), materials were prepared,
characterized in a physical way (e.g. XRD, TEM, BET…) or chemical way (selective
reactions). This practice gained power when computational possibilities were created via the
use of a computer. The next step in this natural process of research was to come up with kinetic
or physical models describing reality as adequate as possible, giving rise to chemical and
physical descriptors of this reality.
Today, the research of Prof. Dr. ir. Philippe M. Heynderickx focuses on the green triangle in
the figure: a combination of catalytic testing of materials (MOFs for e.g. selective adsorption
or fine-chemical reactions or metal oxides catalysts for e.g. selective oxidation reactions), the
corresponding kinetic modeling via fundamental reaction steps using intrinsic data and the
upscaling to industrial proportion via reactor simulation.
The long-term strategy is the development, construction and implementation of intrinsic kinetic
models describing catalytic reactions for daily relevant applications. Especially environmental
applications in ‘green chemistry’ conversion, environmental sensors, catalysis and
energy storage applications are envisaged.



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<세미나2>



Defect creation via synthesis procedure in metal-organic frameworks


Francis Verpoort1,2,3,4,


1 State Key Laboratory of Advanced Technology for Materials Synthesis and Processing; Center for Chemical and Material Engineering, Wuhan University of Technology, Wuhan 430070, P.R. China


2 School of Chemistry, Chemical Engineering and Life Sciences, Wuhan University of Technology, Wuhan 430070, P.R. China.


3 Department of Inorganic and Physical Chemistry, Ghent University, Krijgslaan 281-S3, 9000, Ghent, Belgium


4Ghent University, Global Campus Songdo, 119 Songdomunhwa-Ro, Yeonsu-Gu, Incheon, Korea


*E-mail: Francis@whut.edu.cn / Francis.verpoort@ugent.be


The variation in synthesis procedure, such as solvothermal, room temperature, microwave and spray drying, for metal-organic frameworks (MOFs) effluences the structure, morphology and properties of the MOF materials such as crystal sizes, particle shape, surface area, defect structures (defects) and gas adsorption properties of N2, CO2, CH4 etc.[1] This work describes procedures to synthesize MOFs exposing dramatically different properties compared with the same MOFs prepared in a conventional manner. These results were deduced and supported from crystal morphologies which are related to the rate of crystallization or crystal growth, from surface and porosity properties evaluation from adsorption measurements, and from temperature decomposition analysis.[2] Furthermore, the crystal framework keeps the same structure as proven from the XRD pattern and coordination functional group analysis (Fig.1). The diversity of defect structures correlates with active sites and thus also with the catalytic performance which is confirmed via example of catalytic reactions. The high catalytic performance of MOFs from this invention is related to the presence of more acid and basic sites occurring on defect structure. Knowledge of the nature and amount of defects is of utmost importance to decide which MOF is suitable for a certain catalytic reaction.


XRD+SEM-ZIF-8-2


Fig1. The synthesis ZIF-8 by different procedure (Spray drying: ZIF-8-SP, Microwave: ZIF-8-MW, Room temperature: ZIF-8-RT, Solvothermal: ZIF-8-SV) and their accompanying XRD patterns (a) The crystal morphology, shape and size investigated by SEM technique (b). The crystal morphology evolution with rate of crystallization effluence of procedure in MOFs synthesis from rapid to slowing growth (top to down direction) present the cube shape to rhombic dodecahedron shape (c).


  1. S. Chaemchuen, N.A. Kabir, K. Zhou, F. Verpoort, Chem. Soc. Rev. 42, 9304-9332 (2013).

  2. Z. Fang, B. Bueken, D.E. De Vos, R.A. Fischer, Angew. Chem. Int. Ed.54, 7234-7254 (2015)