Computer simulation digital

Chapter 6. Two very good references on computer simulation (digital or analog) are the following books by Luyben and Franks ... 

Simulated aimeahng, 1731, 2591 Simulation(s), 2469-2493. See also Computer simulation Digital human modeling for construction/planning of robots, 378, 379 as decision support tool, 2014 definition of, 378 digital computer, 2385 fidelity of, and transfer of training, 932-933 in flexible manufacturing systems, 503, 505-506... 

The interpretation of the results and the quality of the design from the pulsation study, whether performed on the analog simulator or with digital computer simulation, depends quite heavily on the experience and skill of the analyst performing the study, A purchaser of a compressor system who may be a novice at this type of analysis should give serious consideration to using the services of a competent consultant. 

Dearden, J. C. Townsend, M. S., Digital computer simulation of the drug transport process, in Proc. 2nd Symp. Chemical Structure-Biological Activity Relationships Quantitative Approaches (Suhl), Akademie-Verlag, Berlin, 1978, pp. 387-393. 

The first task of chemoinformatics is to transform chemical knowledge, such as molecular structures and chemical reactions, into computer-legible digital information. The digital representations of chemical information are the foundation for all chemoin-formatic manipulations in computer. There are many file formats for molecular information to be imported into and exported from computer. Some formats contain more information than others. Usually, intended applications will dictate which format is more suitable. For example, in a quantum chemistry calculation the molecular input file usually includes atomic symbols with three-dimensional (3D) atomic coordinates as the atomic positions, while a molecular dynamics simulation needs, in addition, atom types, bond status, and other relevant information for defining a force field. 

Clearly, the data contain information about both the equilibrium constant and the rate constants for the conformational interconversion. In this instance, the quantitative analysis was based upon the cyclic voltammetric data. The points in Figure 16.3 are the background-corrected experimental data, and the curves were computed by digital simulation with values of the equilibrium and rate constants selected to achieve best agreement with the experimental data. A given set of parameters was found to account for the data at a variety of scan rates, a necessary condition if the kinetic model is to be judged adequate. 

For the first three-quarters of the last century, statistical thermodynamics was the only bridge available between the molecular and the macroscopic domains. Flowever, during the last quarter century, the availability of large, fast digital computers have enabled the use of another technique—namely computer simulation. 

We hope to have demonstrated that computer simulation of transport and transformation processes on digitally reconstructed multi-phase media can be beneficial to practical chemical engineering applications. We believe that as chemical engineering becomes more product-oriented, the need to model phenomena that control material microstructure formation will gain in importance. We hope that this chapter will provide a useful starting point for those who wish to familiarize themselves with the relevant computational techniques. 

The general behavior expected in LSV may then be computed by digital simulations [20] and the results can be conveniently visualized in a zone diagram as shown in Figure 9. For log 2 < — 1, the dimerization reaction has no effect whatsoever, and the cyclic voltammetric behavior pertains to the reversible, quasi-reversible (QR), or totally irreversible charge transfer (IR), depending on the value of A. For very large... 

Garfinkel, D.. Sack, R. Digital Computer Simulation of an Ecological System, Based on a Modified Mass Action Law. Ecology 45, 502 (1964). 

Thus far the N values feasible in digital computer simulation has fallen below those shown in Table I. The largest number that has been used to date is 1728... 

Today, computer simulation is used extensively to analyze the dynamics of chemical processes or aid in the design of controllers and study their effectiveness in controlling a given process. Analog and digital computers have been used for this purpose, with the emphasis having shifted almost entirely in favor of the digital computers. 

Digital computer simulation of process dynamics involves the solution of a set of differential and algebraic equations, which describe the process. There are several categories of numerical methods which can be used to integrate differential equations and solve algebraic ones. Let us examine briefly the simplest and most popular among them. 

Both books provide a series of examples drawn from the area of chemical engineering and demonstrate how digital computer simulation of chemical processes can enhance our ability to understand the dynamics and develop better controllers for such systems. Computer programs in FORTRAN for typical systems are also included. For more details on the numerical techniques for the solution of algebraic or differential equations, the reader is encouraged to consult the following two classic books ... 

Computer simulation of the kinetic mechanism was carried out using the program of Brown ( 5) on a Digital Equipment Corp VAX 780 computer ... 

The objective of digital computer simulation is to generate a probability distribution for the figure of merit, generally present worth or rate of return, given the probability distributions for the various components of the analysis. The decision maker can thus compare expected returns as well as the varitibility of returns for two or more alternatives. Moreover, probability statements can be made, in this form The probability is x that project y will result in a profit in excess of z-... 

Behbehani, K. and Watanabe, N.T. 1986. A new appUcation of digital computer simulation in the design of a microprocessor-based respirator. Summer Simulation Conference, 415-420. 

Production is simulated nowadays with the use of computer simulation, which is the generic name for a class of computer software (Chryssolouris 2006). The rapid progress in computer graphics and digital simulation, in the past two decades. 

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