Software RATIO

Gas chromatography/mass spectrometry (GC/ MS) of aromatic hydrocarbon fractions was done on an HP 6890 gas chromatograph equipped with an HP 7683 autosampler, a 60 m DB-1 column connected to an HP 5973 mass selective detector operated in the scan mode from 50 to 450 amu. On-column sample injection was done at programmed temperature at 3 °C above column oven temperature with constant flow helium carrier gas. The column oven programme initial temperature was 70 °C programmed to 315 °C (total run time 131.33 min). Internal standard (ortAo-terphenyl) at 300 ppm was used for quantification with data acquisition and integration on HP ChemStation software. Ratios may be found in Table 4. 

This is the method used by the commercial software packages Crystal Ball and RISK . The method is ideally suited to computers as the description of the method will reveal. Suppose we are trying to combine two independent variables, say gross reservoir thickness and net-to-gross ratio (the ratio of the net sand thickness to the gross thickness of the reservoir section) which need to be multiplied to produce a net sand thickness. We have described the two variables as follows ... 

The PRDDO (partial retention of diatomic differential overlap) method is an attempt to get the optimal ratio of accuracy to CPU time. It has been parameterized for the periodic elements through Br, including the 3rd row transition metals. It was parameterized to reproduce ah initio results. PRDDO has been used primarily for inorganic compounds, organometallics, solid-state calculations, and polymer modeling. This method has seen less use than other methods of similar accuracy mostly due to the fact that it has not been incorporated into the most widely used semiempirical software. 

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. 

Esi-ms measurements were performed on a Agilent LC M,SD system with the following operational parameters capillary voltage 4.0 kV, cone voltage, 50 V and solvent flow (methanol - water, 50% v/v) 0.3 inL/min. All esi mass specttal data in the positive ion mode were acquired and processed using HP Chem.Station software. The concenttation of aluminum was 0.5 mmol dm while that of mfx were varied in the interval 0.5-1.0 mmol dm. The pH values were pH 4.0, 6.0, 7.2 and 8.5. The specttum obtained at A1 to mfx concenttation ratio 1 2 and pH 4.0 is shown in Fig. 1. 

The choice of variables remaining with the operator, as stated before, is restricted and is usually confined to the selection of the phase system. Preliminary experiments must be carried out to identify the best phase system to be used for the particular analysis under consideration. The best phase system will be that which provides the greatest separation ratio for the critical pair of solutes and, at the same time, ensures a minimum value for the capacity factor of the last eluted solute. Unfortunately, at this time, theories that predict the optimum solvent system that will effect a particular separation are largely empirical and those that are available can be very approximate, to say the least. Nevertheless, there are commercially available experimental routines that help in the selection of the best phase system for LC analyses, the results from which can be evaluated by supporting computer software. The program may then suggest further routines based on the initial results and, by an iterative procedure, eventually provides an optimum phase system as defined by the computer software. 

Data analysis routines may change with time, and it is desirable to be able to reanalyze old data with new analysis software. Our tensile test analysis software creates plots of engineering stress as a function of engineering strain, as illustrated in Figure 3. Our flexure test software plots maximum fiber stress as a function of maximum fiber strain, with the option of including Poisson s ratio in the calculations. Both routines generate printed reports which present the test results in tabular form, as illustrated in Figure 4. 

Polymer and coating chemists use computer models to predict the properties of formulated products from the characteristics of the raw materials and processing conditions (1, 2). Usually, the chemist supplies the identification and amounts of the materials. The software retrieves raw material property data needed for the modelling calculations from a raw material database. However, the chemist often works with groups of materials that are used as a unit. For instance, intermediates used in multiple products or premixes are themselves formulated products, not raw materials in the sense of being purchased or basic chemical species. Also, some ingredients are often used in constant ratio. In these cases, experimentation and calculation are simplified if the chemist can refer to these sets of materials as a unit, even though the unit may not be part of the raw material database. 

With a new software program it is possible to measure the Texture Constant" of pectins. This Texture Constant K is calculated by the ratio of the maximum force during the time interval of the measurement and the measured area below the force-time curve. The resulting constants K correlate well with the dynamic Weissenberg number of oscillating measurements carried through with the same pectin gels. 

In this context, 14 different reaction conditions were investigated in 14 hours. By software-supported process optimization (factorial design), the initial yield of 49% could be improved to 78% with a simultaneous increase in keto/enol isomer ratio (A B) of65 35 to95 5. 

The seven ways (r, through r7) for calculating correlation as the square root of the ratio of the explained variation over the total variation between X (concentration of analyte data) and Y (measured data) are described using many notational forms. For example, many software packages provide built-in functions capable of calculating the coefficient of correlation directly from a pair of X and Y vectors as given by rx (Equation 59-7). 

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