Graphical implementations

The formulation of the operating line equations and equilibrium relationships and their graphical implementation is not restricted to the basic extractor configuration but can be applied to columns with multiple feeds and reflux streams. The resulting complexity is handled by breaking up the column into sections, each with its own difference point. This is demonstrated for a column with an intermediate feed, resulting in two sections. 

As we already saw, for three- and four-component mixtures, all the operations enumerated can be graphically implemented. 

Binary distillation columns are solved on the H-X diagram by graphically implementing the appropriate material and enthalpy balances on an H-X diagram prepared for the given binary at a given pressure. The detailed solution steps depend somewhat on the way the column is specified. 

The Web-based graphical user interface permits a choice from numerous criteria and the performance of rapid searches. This service, based on the chemistry information toolkit CACTVS, provides complex Boolean searches. Flexible substructure searches have also been implemented. Users can conduct 3D pharmacophore queries in up to 25 conformations pre-calculated for each compound. Numerous output formats as well as 2D and 3D visuaHzation options are supplied. It is possible to export search results in various forms and with choices for data contents in the exported files, for structure sets ranging in size from a single compound to the entire database. Additional information and down-loadable files (in various formats) can be obtained from this service. 

Note that this exercise refers to the standard MOPAC implementation, which does not have a graphical user interface (gui). 

The second area, the implementation of a modem process monitoring and control system, is the most dramatic current appHcation of CAD/CAM technology to the chemical process industry. The state of the art is the use of computer graphics to display the process flow diagram for sections of the process, current operating conditions, and controUer-set points. The process operator can interact directly with the control algorithms through the... 

The challenges for visualization are at least twofold. Easter graphics hardware will be required to display and manipulate more complex data displays. More importantly, the human effort required to develop visualization systems must be reduced. It is the realm of the expert programmer to implement a usable visualization system. General purpose tools that allow the nonexpert to import data in different formats into robust visualization systems are just beginning to appear. 

The process and instrumentation (P I) diagram provides a graphical representation of the control configuration for the process. The P I diagrams illustrate the measurement devices that provide inputs to the control strategy, the actuators that will implement the results of the control calculations, and the function blocks that provide the control logic. 

These TNT equivalencies should be used in combination with high-explosive blast data by Baker (1973). Instead of graphical representation, Prugh (1987) recommends the use of simple equations which relate basic blast parameters to distance from the explosion center. These expressions can be readily implemented in a spreadsheet on a personal computer. 

The explosion of graphical software and the ability of database management systems to store graphical data provide a mechanism for designing and implementing clip art to convey certain meaning to the user. For example traffic lights have been used to convey the status of data collection forms. 

Most of the algorithms and formulae discussed in this chapter can be implemented as expressions in computer spreadsheets, and the rest as simple computer programs. Most are also incorporated into the Microsoft Excel spreadsheet program by the Isoplot add-in (Ludwig 1999, in press) as user-available functions and graphical routines (Appendix III). 

Scripts are often fairly simple software components that can be generated very quickly to execute recurring operations or collect multiple operations into a large block for efficient usage. Scripts can be simple shell scripts with no graphical output capability, but the use of extended graphical toolbox scripts provides a simple way of implementing software features with easy user interaction. 

All formulas in Table 6.1, and the PID settings in Table 6.2 later, are implemented in the M-file recipe.m, available from our Web Support. The Ciancone and Marlin tuning relations are graphical, and we have omitted them from the tables. The correlation plots, explanations, and the interpolation calculations are provided by our M-file ciancone.m, which is also used by recipe.m. 

The provision of these office automation tools to the scientist must be done in a way which integrates the office activities with the lab activities. Global planning must be done for the implementation of a comprehensive system which includes laboratory Instruments, robotics, office automation, graphics, molecular, reaction and other modeling tools, information retrieval and all the other computer resources required by the modern scientist. 

To date, EROS development has concentrated very much on the system itself and its chemistry. Far less attention has been paid to the interface between EROS and user. To rectify this situation, work has begun on implementing procedures for graphical input and output of molecular structures. 

Precise description of behavior needs an abstract model of the state of any correct implementation and of input or output parameters. Catalysis uses a type model for this. Types specify behavior in terms of the effect of operations on conceptual attributes. For a simple type, these attributes and their types are listed textually more-complex types may have a type model drawn graphically and even factored into separate drawings. 

Parker and Lenhard (1989) and Lenhard and Parker (1988) have developed equations that relate the apparent product thickness measured at a well under equilibrium conditions with the product and water saturations in a vertical column of soils adjacent to the well. By integrating the product saturation curve with respect to elevation, an equivalent depth of LNAPL-saturated pores is obtained. This process has been implemented in a computer program called OILEQUIL. The result is reported as a total oil depth in a vertical profile. The water and oil saturation curves with elevation can also be produced and printed in graphical or tabular form. 

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