Basic calculations menu

The calculator level of Mathematica comes in the form of Palettes, which are very handy tools. Palettes are found under the File menu and there are several of them. If one wants to use a trigonometric function, for example, we can either type in its name or go to the Basic Calculations menu and then to the Trigonometric and Exponential Functions. Should we want to evaluate the sine of 2.3333jr, then we can do so as follows ... 

The Group Theory Calculator [the GT Calculator] is the set of interactive EXCEL spreadsheet files, one for each of the main molecular point groups, on the CDROM supplied with this manual. The group theoretical calculations, which can be performed with the calculator, are rendered possible because of the enhancement of the basic spreadsheet operations and displays using Visual Basic for Applications code and the complex-arithmetic routines available in the Analysis Tool Pack EXCEL Add-ins . Since the Analysis Tool Pack is not one of the standard components loaded in a typical installation of the EXCEL software package, it is necessary, before attempting to use the GT Calculator, to ensure that your version of the EXCEL programme includes this extra component. With any spreadsheet open, check the Add-ins list in the TOOLS menu on the main EXCEL toolbar and, if necessary, install this component in the usual way. 

A complete set of descriptors can be calculated by highlighting the node of the corresponding file and selecting data set in the context menu. If not already performed, the data set will be calculated and displayed as a table of all molecules and their basic statistical parameters, like variance, skewness, or kurtosis. Additionally, an ASD is calculated and displayed at the top of the table. The data set table can be saved in different file formats including binary files for fast searches. 

Excel offers a number of statistical functions, listed under the Tools menu. Go to Add-Ins, and check Analysis ToolPak. Click OK and return to the spreadsheet. Now when you go to the Tools menu, you will see Data Analysis. Go to that, and you will see 19 statistical programs listed. As you experiment with these, you will find some very useful. One Add-In that is very useful is Solver, for solving complicated formulas. Its use is described in Chapter 6. See also the text website www.wiley. com/college/christian for a list of some commercial software packages for performing basic as well as more advanced statistical calculations. 

Table 6.28 provides an overview on basic fuel data, gasifier features, performance figures, and gas qualities. The performance values for the Schwarze Pumpe waste-coal mix gasification are based on averaged data for the waste menu, which is not very well reconciled with the product gas. The main reason is that 80% of the gas originates from pyrolysis, because of extremely high volatiles content of the fuel [185]. Hence, the calculated values for cold gas efficiency, syngas yield, and carbon conversion are not very reliable. 

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