Catalyst Material Science

Selective oxidation materials fall into two broad categories supported systems and bulk systems. The latter are of more practical relevance although one intermediary system, namely vanadia on titania [92,199-201], is of substantial technical relevance. This system is intermediary as titania may not be considered an inert support but rather as a co-catalysts [202] capable of, for example, delivering lattice oxygen to the surface. The bulk systems [100, 121, 135, 203] all consist of structurally complex oxides such as vanadyl phosphates, molybdates with main group components (BiMo), molybdo-vanadates, molybdo-ferrates and heteropolyacids based on Mo and W (sometimes with a broad variation of chemical composition). The reviews mentioned in Table 1.1 deal with many of these material classes. 

Bulk materials used as oxidation catalysts not only allow for oxygen transport but also accommodate a wide and homogeneous modification of their electronic 

24 1 Concepts in Selective Oxidation of Small Alkane Molecules 

The application of in situ surface analysis has given some experimental hints [155, 175-177, 244, 249] on the operation of material dynamics in working VPO 

The transformation of the initial defective V0P04 is thus not a side effect but the central step enabling the active phase. The defect structure controlled by addition of promoters like Co, Ga, Fe and others will affect the partitioning between large crystalline material and still nanostructured VPO that is the reactive precursor to 

The still rare observations of material dynamics [82,230-234] in chemical oscillating reactions are inspired by the work of kinetic oscillations seen in surface reactions under controlled conditions [235, 236] that are special cases of reactor oscillations [237-240] seen in studies of oxidation processes. 

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Moshkalyov SA, Moreau ALD, Guttierrez HR, Cotta MA, Swart JW. Carbon nanotubes growth by chemical vapor deposition using thin film nickel catalyst. Materials Science and Engineering B-Solid State Materials for Advanced Technology 2004 112 147-53. http //dx.doi.Org/10.1016/j.mseb.2004.05.038. 

There is a growing interest in modeling transition metals because of its applicability to catalysts, bioinorganics, materials science, and traditional inorganic chemistry. Unfortunately, transition metals tend to be extremely difficult to model. This is so because of a number of effects that are important to correctly describing these compounds. The problem is compounded by the fact that the majority of computational methods have been created, tested, and optimized for organic molecules. Some of the techniques that work well for organics perform poorly for more technically difficult transition metal systems. 

According to Gatos, the needs of solid-state electronics, not least in connection with various compound semiconductors, were a prime catalyst for the evolution of the techniques needed for a detailed study of surface structure, an evolution which gathered pace in the late 1950s and early 1960s. This analysis is confirmed by the fact that Gatos, who had become a semiconductor specialist in the materials science and engineering department at was invited in 1962 to edit a new journal to be... 

Figure 1.4. Catalysts are nanomaterials and catalysis is nanotechnology. If we define nanotechnology as the branch of materials science aiming to control material properties on the nanometer scale, then catalysis represents a field where nanomaterials have been applied commercially for about a century. Many synthetic techniques are available to...

The next level is that of shaped catalysts, in the form of extrudates, spheres, or monoliths on length scales varying from millimeters to centimeters, and occasionally even larger. Such matters are to a large extent the province of materials science. Typical issues of interest are porosity, strength, and attrition resistance such that catalysts are able to survive the conditions inside industrial reactors. This area of catalysis is mainly (though not exclusively) dealt with by industry, in particular by catalyst manufacturers. Consequently, much of the knowledge is covered by patents. 

Base catalysis is another area which has received a recent stimulus from developments in materials science and microporous solids in particular. The Merk company, for example, has developed a basic catalyst by supporting clusters of cesium oxide in a zeolite matrix [13]. This catalyst system has been developed to manufacture 4-methylthiazole from acetone and methylamine. 

In spite of the importance of having an accurate description of the real electrochemical environment for obtaining absolute values, it seems that for these systems many trends and relative features can be obtained within a somewhat simpler framework. To make use of the wide range of theoretical tools and models developed within the fields of surface science and heterogeneous catalysis, we will concentrate on the effect of the surface and the electronic structure of the catalyst material. Importantly, we will extend the analysis by introducing a simple technique to account for the electrode potential. Hence, the aim of this chapter is to link the successful theoretical surface science framework with the complicated electrochemical environment in a model simple enough to allow for the development of both trends and general conclusions. 

Syntheses of aliphatic polyesters by fermentation and chemical processes have been extensively studied from the viewpoint of biodegradable materials science. Recently, another approach to their production has been made by using an isolated lipase or esterase as catalyst via non-biosynthetic pathways under mild reaction conditions. Lipase and esterase are enzymes which catalyze hydrolysis of esters in an aqueous environment in living systems. Some of them can act as catalyst for the reverse reactions, esterifications and transesterifications, in organic media [1-5]. These catalytic actions have been expanded to... 

Chianelli, R. R. Perez De la Rosa, M. Meitzner, G., et al., Synchrotron and Simulations Techniques Applied to Problems in Materials Science Catalysts and AZULMAYA Pigments. J. Synchrotron Rad, 2005. 12 pp. 129-134. 

Since the focus of this contribution is clearly on catalysis and catalyst recycle using the ionic liquid methodology it is not possible to go into more detail on the materials science aspects of ionic liquids. However, it should be clearly stated that at least some understanding of the ionic liquid material is a prerequisite for its successful use as a liquid catalyst support in catalysis. Therefore, the interested reader is strongly encouraged to explore the more specialized literature [28],... 

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