Software Concept

The FE kernel RTM described below is embedded in the simulator ROCKFLOW-3. This finite element programme has been developed to simulate flow and transport processes of one and more fluid phases in subsurface hydrosystems (Kolditz et al., 1999). 

The software is completely in ANSI-C. Dynamic memory allocation and pointer technique are particularly important for the utilization of automatic grid adaptation and the coupling of different FE kernels. The code consists of several FE kernels, which assemble the matrix equations for the specific partial differential equations of a physico-chemical problem, e.g. saturated groundwater flow, gas flow, multiphase flow, tracer transport and reactive transport. These FE kernels may be connected to each other via internal interfaces (so-called models) and with the common libraries to simu- 

Operating System, Input-Outpet Files, Real-time Graphic 

As the software concept allows the coupling of several FE kernels (see Fig. 6.2), chemical processes can be simulated for different hydrological systems, e.g. reactive components can be transported by saturated groundwater, gas, or multiphase flow. 

The following examples illustrate the variety of geochemical problems treated with the numerical simulator. We first consider geochemical processes in porous media nitrification (Example 1), validation of the nonequilibrium model (Example 2) and TCE transformation (Example 3). After that we treat the same problems in fractured porous media matrix diffusion (Example 4), two-member decay chain (Example 5). Finally, Example 5 is extended to demonstrate the influence of parameter variation for the concentration distribution that occurs either under equilibrium or nonequilibriiun conditions (Example 6). 

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Doblhoff-Dier O, Unterluggauer F, Huss S, Plail R, Katinger HW (1992) Pilot scale modular hard- and software concepts for animal cell fermentation, animal cells developments, processes and products. Butterworth-Heinemann, Oxford, pp 393 - 396... 

Figure 4-13shows the molar fractions of phenylephrine as functions of pH. Obviously in phenylephrine deprotonation of die ammonium cationic site is preferred to deprotonation of the phenolic function. Details of basic principles, hardware and software concepts and applications of NMR-controHed titrations are described in [14], [15], [16], [17], [18], [19], [20], [21], [22], Results from more laborious UVA7is [23], [24] and now the easily accessible automated NMR-controlled titrations of phenylephrine [22] are consistent The method of NMR-controlled titration is a powerful tool in analytical and structural chemistry, and was recently applied successfully to a series of biorelevant phosphorus compounds [18],[19],[20],[21],... 

Goal-Driven Software Conception 2.1 Wolf2Pack Intramolecular Parameters... 

Computer software concepts (databases, spreadsheets, word processing)... 

When designing a smart clothing system, apart from electronic hardware and software concepts, the wearability of the system is also a critical issue. In wearability concept, some performance requirements such as being lightweight, breathable, comfortable, easy to wear, etc. have to be taken into consideration. In the presented system, aU of the wearability performance requirements that are expected are shown in Table 3.1. 

The course mainly focuses on developing the student s ability to analyze the electronics systans in present-day automobiles and their specific requiranents to become acquainted with the new appUcations that are being developed for future automobiles. To cater to these objectives, the course contents were framed by considering the inputs of various automotive industries like KPIT Cummins, RBEI, and ARM Limited. The contents included both the basic topics like automotive mechanical systems and advanced topics like automotive communication protocols and automotive open system architecture (AUTOSAR) with the equal weightage to hardware and software concepts. 

Automation can generally lead to the elimination of errors and to time saving. Meanwhile, fuUy automated computer-aided method development and semi-automated optimization in HPLC have reached a remarkable level of maturity and sophistication. Through several real examples, Lloyd R. Snyder (Chapter 4.1) and Sergey Galushko (Chapter 4.2) describe the possibilities offered by the software packages DryLab and ChromSword , respectively. Michael Pf er (Chapter 4.3) compares the two software concepts from the point of view of the user, and presents a new software tool that also incorporates automatic colurrm selection. 

The team had its software, concept of operations, and objectives, and was ready to begin the pilot. 

Tretmans, J. Test generation with inputs, outputs and repetitive quiescence. Software - Concepts and Tools 17(3), 103-120 (1996)... 

Van Bramer S (1997) ACD/CMR and ACD/HNMR spectrum prediction software. Concepts in Magnetic Resonance 9 271-273. 

Recent years have witnessed an increase in the number of people using computational chemistry. Many of these newcomers are part-time theoreticians who work on other aspects of chemistry the rest of the time. This increase has been facilitated by the development of computer software that is increasingly easy to use. It is now so easy to do computational chemistry that calculations can be performed with no knowledge of the underlying principles. As a result, many people do not understand even the most basic concepts involved in a calculation. Their work, as a result, is largely unfocused and often third-rate. 

In order to operate a process facility in a safe and efficient manner, it is essential to be able to control the process at a desired state or sequence of states. This goal is usually achieved by implementing control strategies on a broad array of hardware and software. The state of a process is characterized by specific values for a relevant set of variables, eg, temperatures, flows, pressures, compositions, etc. Both external and internal conditions, classified as uncontrollable or controllable, affect the state. Controllable conditions may be further classified as controlled, manipulated, or not controlled. Excellent overviews of the basic concepts of process control are available (1 6). 

The Prandtl mixing length concept is useful for shear flows parallel to walls, but is inadequate for more general three-dimensional flows. A more complicated semiempirical model commonly used in numerical computations, and found in most commercial software for computational fluid dynamics (CFD see the following subsection), is the A — model described by Launder and Spaulding (Lectures in Mathematical Models of Turbulence, Academic, London, 1972). In this model the eddy viscosity is assumed proportional to the ratio /cVe. 

The use of impedance electrochemical techniques to study corrosion mechanisms and to determine corrosion rates is an emerging technology. Elec trode impedance measurements have not been widely used, largely because of the sophisticated electrical equipment required to make these measurements. Recent advantages in micro-elec tronics and computers has moved this technique almost overnight from being an academic experimental investigation of the concept itself to one of shelf-item commercial hardware and computer software, available to industrial corrosion laboratories. 

A number of material suppliers offer information on their products on electronic devices (floppy discs, CDs, etc.) for use on personal computers. An important one, called Campus, is a database concept started by four German material manufacturers who use a uniform software. This database, initially developed jointly by BASF, Bayer, Hoechst, and Hulls, provided for other manufacturers to join. The present consortium has more than 50 materials suppliers worldwide. It is given in the form of diskettes in German, English, French, Italian, or Spanish. Each diskette contains the uniform test and evaluation program and the range of the respective material producers. It runs on IBM-compatible personal computers under the MS-DOS operating system. 

The Madison Group and its European partner, M-Base, have developed, based on years of research and experience with material data systems, the concepts and software for the management of such application databases. This application database is searchable by part and application. Capability for general component information, multiple classifications, images and text and links to material properties is included. 

Second, using the results from the first stage, they designed a software program with dynamic representations (each choice was analyzed from the students verbal or written explanations) to help them investigate what representative knowledge the learners had of chemistry concepts and how they explained the concepts. For instance, three types of students conceptions about the motion of particles in solid state were foimd as shown in Fig. 11.8. To show the dynamic movements and... 

Research into so-called ontologies is also currently very active. Ontologies can be used to characterize the principal concepts in a particular discipline and how they relate one to another. Many people believe they are necessary if database annotation is to be made accessible to both people and software, but also in facilitating more effective and efficient data retrieval. The well-known Gene Ontology consortium, or GO, defines the term ontology as ... specifications of a relational vocabulary . In other words they are sets of defined terms like the sort that you would find in a dictionary, but the terms are networked. The terms in a given vocabulary are likely to be restricted to... 

Frame-like structures can be used to represent the facts, objects and concepts. In this context frames must be interpreted as a software stmcture (a frame) in which all characteristics of an object or a concept is described. The simplest example of frame-like structures are the so-called object-attribute-value" triplets. Examples of such triplets to describe a chromatographic column are ... 

There are several ways to deal with this problem. The simplest in concept is to use liquid imbibed particles that are uniform in structure, such as sugar cubes [12, 13] as already mentioned above. To my knowledge, this has never been done for structure studies. The second is to use NMR-invisible particles, for example, glass, and fill the spaces between the particles with a liquid such as water that can be imaged. The third is to use the usual radially heterogeneous particles and then use software to calculate the parameters. One first determines the centers of each particle and then decides whether the particles are in contact with each other or not by the distances between the centers [14]. 

IR or MS and does not easily distinguish between a monomer and a dimer. NMR is found to be most precious for the identification of P-containing additives. It should be realised that high investments are needed for a universal artificial intelligence structural identification software package based on NMR, MS and IR (Chemical Concepts/Spec Info). 

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