Substance field modeling

Conformational energies, computed with a force field including coulombic interactions and a simple accounting for the effects of solvents, of meso and racemic 2,4-diphenylpentane as model substances of PS are computed as functions of the skeletal torsion angles and the phenyl torsion angles. 

The 76 Standard Solutions are contained in the field of TRIZ, specifically substance f eld modeling (Su-Field). As with other TRIZ techniques like Functional Analysis, the 76 Standard Solutions are vested in the notion that all systems can and will be progressively modified to improve their value quotient (see Technique 3). 

To do this, measurements of relaxation time (spin-spin) and T2 (spin-spin) were accomplished by means of a Bruker type SXP 4/100 pulsed spectrometer. Measurements of were carried out by the method of iii5)ulse application II-T-n/2. Impulse length H/2 was 2-3 ys, and field frequency - 90 MHz. The relaxation time T2 spin-spin was determined by the "solid echo" method, when the relaxation time was in the range of 10-200 ps, and if the relaxation time was of the order of 1 ms, the Gill-Meiboom>s method was used. Separation of relaxation time components was effected using the graphical method described by Me Brierty. In order to study the specific interactions between PAN and unsaturated elastomers the mixtures of model substances, i.e. n-dodecene-1, n-dodecane and n-butyronitrile in infrared and ultraviolet were investigated by means of Pye-Unicam spectrophotometer of the SP-700 type. 

These TRIZ stages/tools can be classified as tools for model of problem and tools for model of solution as shown in Fig. 7.6. There are four classes of model of problem—namely, engineering contradiction, physical contradiction, function model, and substance-field model. For the model of solutions, we have the specific inventive principles, specific scientific effect, and specific standard inventive solution. The bridge between the problem and the solution is the TRIZ tools such as contradiction matrix, separation/satisfaction bypass, scientific effects, and system... 

Level 3 is similar to level 2, except that here it is important to have problems that include global issues such as sustainabihty, environmental-economic trade-offs, and safety and regulation issues. TRIZ tools such as evolution trends and substance-field model will be discussed and explored through real-life open-ended problems. After this level, smdents will have a clear picture of the problem-solving process, and they will be confident in deriving creative solutions for real engineering problems. 

Chain stiffness and the effects of excluded volume became the dominating issue in the years between 1980 and the start of the new millennium. Percolation simulations indicated strong effects on the unperturbed polymer conformations due to excluded volume interactions [4]. With specially synthesized model substances (prepared by the Burchard group), the transition from mean-field to highly perturbed conformation was explored [5-17]. Studies in 1996 [8] on randomly branched, and in 2004 on hyperbranched polymers [8, 18-20], showed that the fractal conception could be quantitatively adjusted to the scattering behavior of linear and branched structures over the whole (/-domain and offered valuable insight into the structure in space [16]. 

Thielking and Kuliche" used a combination of flow field flow fractionation and multiple laser light scattering for the characterization of a sulphonated polystyrene solutions. These workers examined seven sulphonated polystyrene standards (1800 - 3 x 10 g mole ), which were taken as model substances for macromolecular polyelectrolytes. The technique was applied to O.IM sodium nitrate solutions of the polyelectrolytes. 

This technique relies on the formation of ions by various means in a high-vaeuum ehamber, their aeeeleration by an eleetrieal field and subsequent separation by mass/eharge ratio in a magnetie field and the deteetion of eaeh speeies. It ean be used for both inorganic and organic substances, be very sensitive, and be of value in examining mixtures of compounds especially if linked to glc. Usually this is a laboratory technique but portable or transportable models are now available. ... 

One important stracture in molecules are polar bonds and, as a result, polar molecules. The polarity of molecules had been first formulated by the Dutch physicist Peter Debye (1884-1966) in 1912, as he tried to build a microphysical model to explain dielectricity (the behaviour of an electric field in a substance). Later, he related the polarity of molecules to the interaction between molecules and ions. Together with Erich Hiickel he succeeded in formulating a complete theory about the behaviour of electrolytes (Hofimann, 2006). The discovery of the dipole moment caused high efforts in the research on physical chemistry. On the one hand, methods for determining the dipole momerrt were developed. On the other hand, the correlation between the shape of the molectrle and its dipole moment was investigated (Estermanrr, 1929 Errera Sherrill, 1929). 

Model results in seawater are in good agreement with observational data of PFOA. Most differences can be attpageributed to deficiencies of the emission scenario. Despite this fact, the difference between model results and observational data are due to the limited horizontal and process resolution and the fact that the physical parameters of the model (temperature, surface pressure, vorticity or divergence of the wind velocity field) were not relaxed to observational data. Regarding these limitations, in particular individual vertical profiles compare quite well with observations. This study underlines the importance of the ocean as a transport medium of PFOA. The contribution of volatile precursor substances to long-range transport needs to be assessed. 

In this chapter, we consider multiphase (noncatalytic) systems in which substances in different phases react. This is a vast field, since the systems may involve two or three (or more) phases gas, liquid, and solid. We restrict our attention here to the case of two-phase systems to illustrate how the various types of possible rate processes (reaction, diffusion, and mass and heat transfer) are taken into account in a reaction model, although for the most part we treat isothermal situations. 

The object of this work was to extend the field of application of the equation-of-state method. The method was applied to aqueous systems in conjunction with a model that treats water as a mixture of a limited number of polymers, an approach similar to that previously adopted for the carboxylic acids (2). Association is calculated by the law of mass action corrections for non-ideal behaviour are made by means the equation of state. A major problem of the method is the large number of parameters needed to describe the properties and concentrations of the polymers together with their interaction with molecules of other substances. The Mecke-Kemptner model (15) (also known as the Kretschmer-Wiebe model (16) and experimental values for hydrogen-bond energies were usecT for guidance in fixing these parameters. 

The simple structural models built by collections of discs can also be useful for the description of other frequently found behaviour Fig. 2.3(a) and (b) present cases in which we still have substitution of the two atoms but in an ordered way, causing in Fig. 2.3(a) the formation of atomic clusters and in Fig. 2.3(b) the formation of a new substance (a solid compound ) of a well-defined composition and not of a phase field having a continuously changing composition. 

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