Fine chemicals defined

Cost Calculation. The main elements determining production cost are identical for fine chemicals and commodities (see Economic evaluation), a breakdown of production cost is given in Table 2. In multipurpose plants, where different fine chemicals occupying the equipment to different extents are produced during the year, a fair allocation of costs is a more difficult task. The allocation of the product-related costs, such as raw material and utiHties, is relatively easy. It is much more difficult to allocate for capital cost, labor, and maintenance. A simplistic approach is to define a daily rent by dividing the total yearly fixed cost of the plant by the number of production days. But that approach penalizes the simple products using only part of the equipment. 

Fine chemicals are generally considered chemicals that are manufactured to high and weU-defined standards of purity, as opposed to heavy chemicals made in large amounts to technical levels of purity. Fine chemicals usually are thought of as being produced on a small scale and the production of some fine chemicals is in tens or hundreds of kilograms per year. The production of others, especially fine chemicals used as dmgs or food additives (qv), is, however, in thousands of metric tons (see Pharmaceuticals). For example, the 1990 U.S. production of aspirin [50-78-2] and acetaminophen [103-90-2] was on the order of 20,500 t and 15,000 t, respectively. 

Physical or artifactual standards are used for comparison, caUbration, etc, eg, the national standards of mass, length, and time maintained by the National Institute of Standards and Technology (NIST) or the standard reference materials (SRMs) collected and distributed by NIST. Choice of the standard is determined by the property it is supposed to define, its ease of measurement, its stabiUty with time, and other factors (see Fine chemicals). 

In comparison with traditional biphasic catalysis using water, fluorous phases, or polar organic solvents, transition metal catalysis in ionic liquids represents a new and advanced way to combine the specific advantages of homogeneous and heterogeneous catalysis. In many applications, the use of a defined transition metal complex immobilized on a ionic liquid support has already shown its unique potential. Many more successful examples - mainly in fine chemical synthesis - can be expected in the future as our loiowledge of ionic liquids and their interactions with transition metal complexes increases. 

Fig. 7-13 Physical transformations of trace substances in the atmosphere. Each box represents a physically and chemically definable entity. The transformations are given in F, (from the ith to the /th box). Q, represents sources contributing to the mass or burden, M,> in the ith box. Rd, and Rw, are dry and wet removals from M,. The dashed box represents what may be called the fine-particle aerosol and could be a single box instead of the set of four sub-boxes (i = 1,2,3,4). The physical transformations are as follows ...

Fine chemicals are products of high and well-defined purity, which are manufactured in relatively small amounts and sold at relatively high price. Although a question of taste, reasonable limits would be lOkton/year and 10/kg (Stinson, 1998, Section 2.1 of this book). Fine chemicals can be divided in two basic groups those that are used as intermediates for other products, and those that by their nature have a specific activity and are used based on their performance characteristics. Performance chemicals are used as active ingredients or additives in formulations, and as aids in processing. 

In fine chemicals manufacture, batch filtration prevails. This operation is the subject of R D in various steps of process development. The aim of R D on filtration is (1) to establish an effective procedure of filtration and washing providing a filter cake and/or filtrate of desired quality, and (2) to select the most appropriate filter or centrifuge for full-scale operation and determine its productivity. The productivity is defined as ... 

The very basis of the kinetic model is the reaction network, i.e. the stoichiometry of the system. Identification of the reaction network for complex systems may require extensive laboratory investigation. Although complex stoichiometric models, describing elementary steps in detail, are the most appropriate for kinetic modelling, the development of such models is time-consuming and may prove uneconomical. Moreover, in fine chemicals manufacture, very often some components cannot be analysed or not with sufficient accuracy. In most cases, only data for key reactants, major products and some by-products are available. Some components of the reaction mixture must be lumped into pseudocomponents, sometimes with an ill-defined chemical formula. Obviously, methods are needed that allow the development of simple... 

Dedicated plants predominate in the bulk chemicals industry. They suit the manufacture of well-defined products using a determined technology. Any change of the product or the production process usually produces problems, which illustrates the inflexibility of a dedicated plant. A batch plant may also be operated as a dedicated plant to produce a single chemical. Some fermentation plants (with reactors of up to 200 m volume) are examples of dedicated batch plants for the production of a family of similar products. So-called bulk fine chemicals, i.e. compounds that are produced in larger quantities, are also manufactured in dedicated plants, e.g. vitamin C and aspirin (see Fig. 7.1-1). The va.st majority of batch plants, however, produce several chemicals. 

MPPs for fine chemicals are generally mn at well below their maximum capacity. At present, 60-70% of the maximum capacity is a representative figure. The theoretical capacity is difficult to define for several reasons ... 

Industrial applications of zeolites cover a broad range of technological processes from oil upgrading, via petrochemical transformations up to synthesis of fine chemicals [1,2]. These processes clearly benefit from zeolite well-defined microporous structures providing a possibility of reaction control via shape selectivity [3,4] and acidity [5]. Catalytic reactions, namely transformations of aromatic hydrocarbons via alkylation, isomerization, disproportionation and transalkylation [2], are not only of industrial importance but can also be used to assess the structural features of zeolites [6] especially when combined with the investigation of their acidic properties [7]. A high diversity of zeolitic structures provides us with the opportunity to correlate the acidity, activity and selectivity of different structural types of zeolites. 

Conversion of such biomass into chemicals may be expected to have a much longer future perspective. Most chapters in this book are committed to the catalysis of biomass feedstock to bulk or fine chemicals. Here one notes the need to define platform molecules and their conversion technologies as well as the need for more insights in the fundamental catalysis of these processes. 

Production processes used in the pharmaceutical/fine chemical, cosmetic, textile, rubber, and other industries result in wastewaters containing significant levels of aliphatic solvents. It has been reported that of the 1000 tons per year of EC-defined toxic wastes generated in Ireland, organic solvents contribute 66% of the waste [27]. A survey of the constituents of pharmaceutical wastewater in Ireland has reported that aliphatic solvents contribute a significant proportion of the BOD/COD content of pharmaceutical effluents. Organic solvents are flammable, malodorous, and potentially toxic to aquatic organisms and thus require complete elimination by wastewater treatment systems. 

Thus, the impressive size of BASF s Fine Chemical Division is due to a BASF-specific definition of the term fine chemicals. In fact, the division, which is part of the business segment Agricultural Products Nutrition produces large volume aroma chemicals (a.o. 40,000 metric tons/year of citral) and vitamins (A, B2, C and E), as well as several lines of specialty chemicals (a.o. excipients and personal care products). Fine chemicals as defined in Section 1.1 account for about 150 million ( 190 million) in 2006, after full consolidation of the Swiss Fine Chemical company Orgamol, acquired in 2005. BASF holds a leading position in ibuprofen (made in USA), coffein and pseudoephedrin (made in Germany). BASF forecasts a further increase to 500 million ( 625 million) within 10 years which should make it the third largest fine-chemical company. 

The attractiveness of specific product categories, as discussed in the previous section, by and large defines the attractiveness of target markets as well. Besides its absolute size, the pharmaceuticals market comes first, because of its inherent elevated added value, the relatively high innovation rate, which leads to a steady demand for new products and for a manageable number of customers. The attributes for the agro fine chemicals market are similar, albeit less pronounced, specialty chemicals, in contrast, are needed by almost all industries and, therefore, virtually cannot be approached proactively. Also, the innovation rate in terms of new chemical entities is generally rather low, except in the electronic industry. 

Note Fine chemicals are defined in Section 1.1 (complex molecules sold on the basis of what they are within the chemical industry for the preparation of specialties like pharmaceuticals and agrochemicals). 

A threshold for a sufficiently high yield is hard to define, as the threshold value seems to correlate inversely with the unit value of the product. While for basic, large-volume chemicals yields of 98 or 99% are absolutely essential, the situation in fine chemicals calls for 90-95% yield, and in the initial stage of production of extreme performance chemicals, such as pharmaceuticals, yields of > 80% are very acceptable sometimes values down to 50% have to be encountered. Acceptable yields depend on the number of process steps, including product isolation. If all the steps are assumed to fetch 90% yield, the overall yield depends on the number of steps n as in Eq. (2.22). 

In the fine chemicals and pharmaceutical industries, reactors are often used for diverse processes. In such a case, it is difficult to define a scenario for the design of the pressure relief system. Nevertheless, this is required by law in many countries. Thus, a specific approach must be found to solve the problem. One possibility, that is applicable for tempered systems, consists of reversing the approach. Instead of dimensioning the safety valve or bursting disk, one can choose a practicable size and calculate its relief capacity for two-phase flow with commonly-used solvents. This relief capacity will impose a maximum heat release rate for the reaction at the temperature corresponding to the relief pressure. 

Once the multi-step reaction sequence is properly chosen, the bifunctional catalytic system has to be defined and prepared. The most widely diffused heterogeneous bifunctional catalysts are obtained by associating redox sites with acid-base sites. However, in some cases, a unique site may catalyse both redox and acid successive reaction steps. It is worth noting that the number of examples of bifunctional catalysis carried out on microporous or mesoporous molecular sieves is not so large in the open and patent literature. Indeed, whenever it is possible and mainly in industrial patents, amorphous porous inorganic oxides (e.g. j -AEOi, SiC>2 gels or mixed oxides) are preferred to zeolite or zeotype materials because of their better commercial availability, their lower cost (especially with respect to ordered mesoporous materials) and their better accessibility to bulky reactant fine chemicals (especially when zeolitic materials are used). Nevertheless, in some cases, as it will be shown, the use of ordered and well-structured molecular sieves leads to unique performances. 

The use of industrial enzymes for the synthesis of bulk and fine chemicals represents a somewhat specialized application for biocatalysts relative to their broader uses, as outlined above. Industrial biocatalysis is, however, becoming increasingly relevant within the chemical industry for the production of a wide range of materials (see Table 31.3).1,2,4-8 Broadly defined, a biocatalytic process involves the acceleration of a chemical reaction by a biologically derived catalyst. In practice, the biocatalysts concerned are invariably enzymes and are used in a variety of forms. These include whole cell preparations, crude protein extracts, enzyme mixtures, and highly purified enzymes, both soluble and immobilized. 

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