ESS

The GAM ESS program webpage http //www.msa.ameslab.aov/GAMESS/GAMESS.html... 

The HyperChem philosophy associated with back end computations is one which is in tended to in still eon fiden ce. as far as is possible. in the scientific results emanating from HyperChem. This ph ilosoph y is on e of open n ess — open n ess aboii t the prod net. the calculations being performed, the science embodied in the product, etc. Apart from protecting the proprietary code associated with a commercial product. Hypercube wushes to document and describe as fully as is possible tb e calculation s th at HypcrCb cm performs. There should be no mystery about the scientific results obtained with HyperChem. 

Figures 5.4 and 5.8 Press W H, B P Flannery, S A Teukolsky and W T Vetterling, Numerical Recipes in Fortran. 1992, Cambridge University F ess.

Vcaic,i is obtained by feeding the appropriate r,- value into the regression equation. Anothe common squared term is the residual sum of squares (RSS), which is the sum of square of the differences between the observed and calculated y values. TSS is equal to the sur of RSS and ESS. The is then given by ... 

Lurgi oHdi-none (NMP) water (12—20) or monoethyl-ene glycol (40—50 wt %) must be added to the NMP to increase the selectivity and to decrease the boiling point of the solvent the NMP—water proc-esses use pentane countersolvent NMP—water, 35 mix-ter—setder, 24—30 stages, up to 8 m in diameter component required depends on the aromatics content of the feed... 

G1 as s CO de b Thei mal stress resist ance °c Strain, °C Anne alia °C Soften in °c Workin °C Knoo P hardn ess, HKio 0 Den sity, g/c 3 m Youn g s mod ulus, GPa Poiss on s ratio 25° C 25 0° C 350 °C Powe r factor, % Diele ctric const ant Loss factor, % Refrac tive index... 

B. C. Lippens andJ.J. Physical and ChemicalMspects ofMdsorbents and Catalysts MctiveMlumina,Ac2LdenhcPt.ess, Inc., New York, 1970, p. 

Plate pr esses. Sometimes called sheet filters, these are assemblies of plates, sheets of filter media, and sometimes screens or frames. Thev are essentially modified filter presses with practically no cakeholding capacity. A press may consist of many plates or of a single filter sheet between two plates, the plates may be rectangular or circular, and the sheets may lie in a horizontal or vertical plane. The operation is similar to that of a filter press, and the flow rates are about the same as for disk filters. The operating pressure usually does not exceed 138 kPa (20 psig). The presses are used most frequently for low-viscosity liqmds, but an ordinaiy filter press with thin frames is commonly used as a clarifier for 100-Pa s (1000-P) rayon-spinning solution. Here the filtration pressure may be 6900 kPa (1000 psig). 

An account of the mechanism for creep in solids placed under a compressive hydrostatic suess which involves atom-vacancy diffusion only is considered in Nabano and Hemirg s (1950) volume diffusion model. The counter-movement of atoms and vacancies tends to relieve the effects of applied pressure, causing extension normal to the applied sU ess, and sluinkage in the direction of the applied sU ess, as might be anticipated from Le Chatelier s principle. The opposite movement occurs in the case of a tensile sU ess. The analysis yields the relationship... 

J. Crank. The Mathematics of Diffusion, 2nd edn. Oxford University Pi ess (1975) QC185. 

MP Allen, DJ Tildesley. Computer Simulation of Liquids. Oxford, UK Clarendon Pi-ess, 1987. 

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