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LevelStructure Chemistry (B-KUL-I0P36A)
Kirschhock Christine (coordinator) |
Gobechiya Elena |
Kirschhock Christine
Aims
Students receive a general overview of the structures of inorganic materials, and are familiarized with the active materials which are applied as catalysts and adsorbents. The why of surface-activity is approached from theoretical and empirical corners, being a starting point for the design of new applications and the optimization of existing ones. An important aid, the crystallography, is approached practically, with the goal of enabling students to read crystallographic literature and to distill the necessary information from it.
Previous knowledge
Degree of Bachelor of Bioscience Engineering in Catalytic Technology, Environmental Technology, Food Technology or equivalent degrees.
Course material
Examples and samples
Is also included in other courses
Activities
4.0 ects. Structural Chemistry (B-KUL-I0P36a)
Content
The structure of inorganic solid materials will be discussed concerning the parameters which determine the structure type, as well as the properties caused by this. Special attention is given to crystallographic calculations on silicates as well as to the models which allow to understand and predict structure-activation relations quantitatively.
Part I: Crystallography is studied practically. It is the definitive goal for students to be capable of reading crystallographic literature and distilling the necessary information from it (such as calculating the compound distances and compound angles, calculating powder diffraction diagrams and the Madelung constant, as well as drawing (stereographic) projections). Diffraction-techniques are approached from the Fourier-transform theory in order to lay solid groundwork for the physical understanding.
Part II: Apart from an overview of the principles which form the basis of the synthesis of inorganic structures, a systematic overview of silicates is given, with emphasis on zeoltes and clay minerals. The structure-synthesis is discussed based on simple packing principles, as well as based on the compound requirements of the compounding elements. Furthermore, the influence of electronic configuration, isomorphic substitution, temperature, coordination requirements and grid distortions, the amorphous phase and the reactivity of the grid are studied explicitly.
In Part III, a relation is established between the structure and the properties of solid materials, keeping their applications in catalysis and adsorption in mind. Each time, fundamental rules which are easily applicable by experimental scientist are searched after. We can describe solid materials from a theoretical point of view, from the 'density functional theory', from quantum-chemistry and from experimental observations. Exercises on charge calculations with zeolites make a connection with the previous parts. The basic rules for understanding computer simulations are explained as well. Structure-optimizations are executed for zeolite structures using crystallographic techniques.
Description of learning activities
Practical work in industrial environments, learning to describe a project in writing, professionally reporting in writing and orally.
Course material
Example Material
1.0 ects. Structural Chemistry: Exercises (B-KUL-I0P98a)
Content
The same contents as during the lecture.
