Spreadsheets integration

Since we follow an analytical, quantitative, and open-source computational approach, our pharmaceutical product/process and project management method and software toolset are implemented as (Internet browser readable) MS-Excel spreadsheets, integrated with several hyperlinks to the rule base and to optional 2D video and 3D virtual-reality objects for visualization. 

It is appropriate, too, to test the utility of the spreadsheet integration procedures for the determination of the orthonormality relationships among the angular parts of the atomic orbital functions. These are the integrations of equation 1.8, over the unit sphere, of the form... 

Anzo for Excel http //www.cambridgesemantics.com/solutions/spreadsheet-integration. Cellfie https //github.com/protegeproject/cellfie-plugin/wild. 

Upon integration, we obtain the final working expression which can be readily programmed on to a spreadsheet for calculations ... 

Preconfigured LIMS— This LIMS does not require extensive customer programming. To meet specific needs of end users, the vendors provide a comprehensive suite of configuration tools. These tools allow end users to add new screens, menus, functions, and reports in a rapid and intuitive manner. The tools also allow the LIMS to be more easily integrated with other business applications such as document processing, spreadsheets, and manufacturing systems. 

Note in Table 5.10 that many of the integrals are common to different kinetic models. This is specific to this reaction where all the stoichiometric coefficients are unity and the initial reaction mixture was equimolar. In other words, the change in the number of moles is the same for all components. Rather than determine the integrals analytically, they could have been determined numerically. Analytical integrals are simply more convenient if they can be obtained, especially if the model is to be fitted in a spreadsheet, rather than purpose-written software. The least squares fit varies the reaction rate constants to minimize the objective function ... 

Modeling offers a spreadsheet-like capability, which permits the integration of several different spreadsheets and the inclusion of general data manipulation commands in cells. 

Packages to solve boundary value problems are available on the Internet. On the NIST web page http //gams.nist.gov/, choose problem decision tree and then differential and integral equations and then ordinary differential equations and multipoint boundary value problems. On the Netlibweb site http //www.netlib.org/, search on boundary value problem. Any spreadsheet that has an iteration capability can be used with the finite difference method. Some packages for partial differential equations also have a capability for solving one-dimensional boundary value problems [e.g. Comsol Multiphysics (formerly FEMLAB)]. 

Use a spreadsheet or equivalent computer program to calculate the concentration of product C as the reaction proceeds with time (/) in a constant-volume batch reactor (try the parameter values supplied below). You may use a simple numerical integration scheme such as Acc =... 

As an integral component of Microsoft Office, the spreadsheet program Excel is installed on many personal computers. Thus, a widespread basic expertise can be assumed. Although initially designed for business calculations and graphics, Excel is also extremely useful for scientific purposes. Its matrix capabilities, as well as the optimisation add-in solver, are not widely known but can often be applied in order to quickly resolve quite complex multivariate problems. We have used Excel 2002 but any other version will do equally well. 

Here, we develop an Excel spreadsheet for the numerical integration of the reaction mechanism 2A k B based on the 4th order Runge-Kutta... 

While the above spreadsheet looks moderately complex, it nevertheless allows the accurate numerical integration of a real chemical reaction in a very short time. We might get the impression that "this is it". Far from it, there are several important aspects that we can only point out very briefly here. 

As mentioned before, the spreadsheet has been set up specifically for the numerical integration of the differential equations for the reaction... 

Both new and experienced users can take advantage of software to lead them through instrument set-up and data acquisition. Automated quantitation routines are available to calculate compound amounts in samples. These routines offer complete flexihihty to generate custom report formats. By integrating retention time information and internal or external cahhration curves can he calculated. Quantitation data can he exported to popular spreadsheet programs. 

A simple spreadsheet tool can be used to capture the results of the fraction analyses, provide data visualization, integrate the responses, and thereby establish starting points for the fraction collection window(s), estimation of target purity and amount recovered. This data is useful for extrapolating the number of... 

We can easily integrate this equation numerically to find the sblutions for the PFTR. We can also solve the algebraic equation for the CSTR. We will solve this problem numerically using a spreadsheet in the next example, but in Figure 5-5 we just plot the solutions X(r) and T(t). 

The 1/r solution is in fact just an Euler s method approximation to the integral for the PFTR, in which one approximates the integral as a summation. The calculation is not very accurate because we used a 0.2 moles/liter step size to keep the spreadsheet small, but it illustrates the method and the identity between Euler s method and a spreadsheet solution. 

In this text all numerical problems involve integration of simultaneous ordinary differential equations or solution of simultaneous algebraic equations. You should have no trouble finding ways to solve algebraic equations with a calculator, a spreadsheet, a personal computer, etc. 

The following diffusion data are adapted from experimental diffusion data for water diffusion in a basaltic melt (Zhang and Stolper, 1991). The experiment was carried out at 1 300°C and the duration of the experiment is 10 minutes. Using Boltzmann analysis to obtain diffusion coefficients or water as a function of water concentration. Hint You will probably need to use a spreadsheet program to do simple integration and differentiation. You may also try to write a simple program. You may fix the concentration at one end to be 0.410 and the other end to be 0.100.)... 

The initial value problem could be integrated using ODE software such as Vode [49]. However, for this simple problem, a fourth-order Runge-Kutta solution scheme [319,325] readily finds the solution and can be easily programmed or formed in a spreadsheet. 

The Runge-Kutta algorithm is entered into a spreadsheet, and the two Stefan-Maxwell equations (12.196 and 12.197) are integrated using a step size Z/200, with guessed values for the fluxes Ni, N2. The calculated mole fractions of species 1 and 2, Xj (Z) and X2 (Z) were used to define a residual r,... 

In the spreadsheet the velocity integral is accomplished by summing the velocity of every control volume times the associated area ... 

This spreadsheet also computes the nondimensional momentum flux that acts along the solid boundaries. Begin from the integral form of the momentum balance (Eq. D.2), and apply it to a half control volume along the vertical solid wall, represented by cell C20 in Fig. D.5. In discrete form,... 

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