Values from Computer Programs

Taking random value from computer program... 

The statistical uncertainty arising from the analytical measurement is derived from the automatic data collection procedure noted before. The AGAS computer performs a standard error analysis and produces both a mean and the standard error of the mean associated with that value. A computer program is used to combine the uncertainties from the primary gravimetric process with the uncertainties produced from the standard deviation of the instrument s response for each of the gas mixtures. 

The C-satellite spectra have been obtained from the deuterium-decoupled n.m.r. spectra of [1,1,2,2,3,3- Hgjcyclopentane and [2,2,5,5- Hjcyclopentanone. From computer program-derived spectral parameters, an R value of 1.00 was determined, and with the assumption of a projection angle [c/ (463)] of 120° a ring torsion angle of 45° was determined (cf. ref. 130) and a half-chair conformation proposed. In cyclopentane the vicinal coupling constants are in accord with an unrestricted pseudo-rotational model. 

A special case around the haunch due to local effects with and without fillet is taken to check the steel in that area. Figure. 8.3 in calculation I represents the principal tensile stresses around haunch both with and without fillet. These values are taken from computer program for prestress plus proof pressure case. Four different cases are analysed both across the barrel wall and the cap with and without principal compressive stresses. 

Assuming that the mass spectrometer has sufficient mass resolution, the computer can prepare accurate ma.ss data on the m/z values from an unknown substance. To prepare that data, the system must acquire the mass spectrum of a known reference substance for which accurate masses for its ions are already known, and the computer must have a stored table of these reference masses. The computer is programmed first to inspect the newly acquired data from the reference compound in comparison with its stored reference spectrum if all is well, the system then acquires data from the unknown substance. By comparison and interpolation techniques using the known reference... 

Measurement of Residual Stress and Strain. The displacement of the 2 -value of a particular line in a diffraction pattern from its nominal, nonstressed position gives a measure of the amount of stress retained in the crystaUites during the crystallization process. Thus metals prepared in certain ways (eg, cold rolling) have stress in their polycrystalline form. Strain is a function of peak width, but the peak shape is different than that due to crystaUite size. Usually the two properties, crystaUite size and strain, are deterrnined together by a computer program. 

To find the best a priori conditions of analysis, the equilibrium analysis, based on material balances and all physicochemical knowledge involved with an electrolytic system, has been done with use of iterative computer programs. The effects resulting from (a) a buffer chosen, (b) its concentration and (c) complexing properties, (d) pH value established were considered in simulated and experimental titrations. Further effects tested were tolerances in (e) volumes of titrants added in aliquots, (f) pre-assumed pH values on precision and accuracy of concentration measured from intersection of two segments obtained in such titrations. 

It was indicated that the original method can be extended on systems where two or three analytes can be determined from a single titration curve. The shifts DpH affected by j-th PT addition should be sufficiently high it depends on pH value, a kind and concentration of the buffer chosen and its properties. The criterion of choice of the related conditions of analysis has been proposed. A computer program (written in MATLAB and DELPHI languages), that enables the pH-static titration to be done automatically, has also been prepared. 

Two standard estimation methods for heat of reaction and CART are Chetah 7.2 and NASA CET 89. Chetah Version 7.2 is a computer program capable of predicting both thermochemical properties and certain reactive chemical hazards of pure chemicals, mixtures or reactions. Available from ASTM, Chetah 7.2 uses Benson s method of group additivity to estimate ideal gas heat of formation and heat of decomposition. NASA CET 89 is a computer program that calculates the adiabatic decomposition temperature (maximum attainable temperature in a chemical system) and the equilibrium decomposition products formed at that temperature. It is capable of calculating CART values for any combination of materials, including reactants, products, solvents, etc. Melhem and Shanley (1997) describe the use of CART values in thermal hazard analysis. 

Using the same values of the kinetic parameters as in Type 1, and given C o = 0-1 mo 1/1, it is possible to solve Equation 6-155 with Equations 6-127 and 6-128 simultaneously to determine the fractional conversion X. A computer program was developed to determine the fractional conversion for different values of (-iz) and a temperature range of 260-500 K. Eigure 6-30 shows the reaction profile from the computer results. 

The calculation of overall heat transfer coefficient U using the equations jireviously presented can be rather tedious. Fleat transfer specialists have computer programs to calculate this value. There are some quick approximation techniques. Table 2-8 comes from the Gas Processors Suppliers Association s Engineering Data Book and gives an approximate value of U for shell and tube heat exchangers. 

Nutter uses their owti proprietary computer program and not the conventional GPDC Chart shown in Figures 9-21B-E. Values shown developed by Kister [90] from data supplied by Nutter Engineering Co., a Harsco Corp. 

The exact calculation of icorr for a given time requires simultaneous measurements of Rp and anodic and cathodic Tafel slopes (/> and be). Computer programs have been developed for the determination of precise values of /corr according to Eqs. (2) and (3). Experimental values of Rp (2p contain a contribution from the uncompensated solution resistance... 

Many excellent computer programs are available for predicting log P a from two-dimensional structures. The quality of predictions has risen over the years to the point that rouhne log P a measurements are not regularly done at some pharmaceutical companies, but rather, calculated values are used. It is worth noting that log Port values of newly synthesized classes of drug-like compounds sometimes are still poorly predicted and probably there will be the need for judicious log Port measurements for years to come. 

This function is shown in Fig. 11, where it is compared with the two-and three-term approximations derived from Eq. (40). At values of x near zero these approximations become increasingly accurate. If, for example, x — 0.2100, y = (1 + 0.2100)1/2 = 1.1000, while the two-term approximation yields y = 1 +0.2100/2 = 1.1050. This development is often employed in computer programs. Clearly, for a given value of x the number of terms used is determined by the precision required in the numerical result... 

Robinson and Baker,18 and Wai and Yates 19 below 71 wt% they can be converted to other temperatures using partial molal enthalpies calculated from the relative enthalpies given by Bidinosti and Biermann.47 Similar values for HC1 in Tables 7 and 8 are obtained from Randall and Young48 and Akerlof and Teare,49 quoted by Bunnett,50 and can be converted to other temperatures using coefficients supplied by Liu and Gren.51 The author uses computer programs, written in Microsoft Basic for the Macintosh, that compute these quantities and others. 

This relation is useful because it effectively removes the requirement that Mj be known for one of the basis species. Instead of setting this value directly, it can be determined by balance from the mole numbers of the other basis species. When charged species appear in the basis, in fact, it is customary for equilibrium models to force charge balance by adjusting Mi for a component chosen either by the modeler or the computer program. 

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