While Designing and Simulating Processes...
The best method to be used for physical property prediction will depend on the compound and the type of other data available. User friendly PREDICT, with its extensive on-line HELP, will guide the user in the selection of the proper method for their application. Then with ease, PREDICT will prompt the user for any supporting data they might have and carry out the calculation. Without PREDICT, these calculations are awkward, tedious and may include interpolation of tabulated data. With PREDICT all calculations are automatically and accurately completed, with the results in tabular or graphical form.
Single Point Properties
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Critical Temperature
Vapor Pressure
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Critical Volume
Heat of Vaporization
Acetric Factor
Liquid Density
Riedel Factor
Surface Tension
Ideal Gas Heat of Formation @ 298K
Liquid Viscosity
Ideal Gas Free Energy of Formation @ 298K
Gas Viscosity
Normal Boiling Point
Liquid Heat Capacity
| Ideal Gas Heat Capacity
| Liquid Thermal Conductivity
| Gas Thermal Conductivity
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Calculation of every property (whether the primary property of interest or a property needed in the calculation of another) can be selected from a list of different methods. As an example, if the Pitzer method is selected for vapor presure calculation the supporting property, critical temperature, will be needed. It can be enter as a point property by the user or estimated using one of several methods in PREDICT.
To begin the calculation of vapor pressure, we select VP or [ALT][F1] from the main menu. Then we select one of the four methods shown in the vapor pressure screen. Also, notice that both the main menu and the vapor pressure menu, like all selection menus, have Help available. Here, we selected the Pitzer method by pressing P or [F3]. After selecting the property and the method we are prompted for the temperature range over which to calculate properties.
Next the supporting properties, usually point properties necessary in the calculation, must be obtained from the included database, entered directly or estimated by one of the many other methods. For our Pitzer vapor pressure example, critical temperature, critical pressure and the acentric factor are needed. For critical temperature the Lydersen prediction method is selected and the molecular groups are entered in to the groups screen.
After all of the supporting properties have been calculated or entered the resulting vapor pressure will be displayed for the temperature range we requested. Notice that all of the supporting properties are displayed, along with their source. Shown are the default units. The properties can be redisplayed in any one of several different unit sets.
The results can be printed, stored to a file, cut and pasted to other programs or displayed as a graph, see this screen. The plot can be linear or logarithmic
A complete regression system is also included. This system allows you to select from 10 common physical property temperature correlating equations. Once an equation is selected, the parameters are displayed along with the goodness of fit and complete residuals listing for all of the data used in the regression. Several different graphical displays illustrating the goodness of fit and errors as a function of temperature are also available.
Dow CorningOccidential Chemical Procter & Gamble United States Navy Los Alamos National Laboratory Hercules 3M Company Eastman Kodak Allied Signal Oxy Petrochemical Abbott Laboratories Westinghouse Electric W. R. Grace Company GAF Corporation Great Lakes Chemical General Electric Cabot Corporation Korea Fine Chemicals (Korea) Finchimica (Italy) International Flavors and Fragrances Smith Kline, Beckman Corp. The BOC Group Koppers Company Howell Chemical Co.
| Gates RubberGlaxo Rust International Bayer (West Germany) ICI (England) Jacobs Engineering Sherex Chemical Quest International (England) Elf Aquitaine (France) JGC Corp. (Japan) Dixie Chemical Shaffer de Mexico Imeg Technica S.A. (Argentina) INDSPEC Chemical E. I. duPont SRI International Shell Oil Phillips Petroleum NASA Amoco Production Monsanto Mobil Union Carbide
| SquibbUpjohn Mallincrodt B.F. Goodrich Hoechst Celanese U.S. Food and Drug Admin. U.S. Dept. of Energy Canadian Dept of Transport Lockheed Engineering Honeywell SANDOZ Crop Protection Ciba-Geigy Ethyl TRW American Cyanamid BASF UOP, Inc. Air Products GTE Products Lubrizol Pechiney (France) Betz Laboratories C.E.R.I. (Italy)
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"They have done a great job with this program. This is a very useful tool for chemical process design." John Vansickle, Dow Corning Corporation.
"This program makes it easy to estimate physical properties of new or unusual organic chemicals." Mark Kipowicz, Chemputers Reviews, Chemical Engineering Magazine, April 14, 1986
"PREDICT has been a life saver, giving us needed property data when none of the process simulators could. PREDICT enabled us to complete a design that we otherwise couldn't have done." Joe Korchnak, Davy McKee Engineers
e:mail dragon@mwsoftware.com
