Simulation program codes

WASP/TOXIWASP/WASTOX. The Water Quality Analysis Simulation Program (WASP, 3)is a generalized finite-difference code designed to accept user-specified kinetic models as subroutines. It can be applied to one, two, and three-dimensional descriptions of water bodies, and process models can be structured to include linear and non-linear kinetics. Two versions of WASP designed specifically for synthetic organic chemicals exist at this time. TOXIWASP (54) was developed at the Athens Environmental Research Laboratory of U.S. E.P.A. WASTOX (55) was developed at HydroQual, with participation from the group responsible for WASP. Both codes include process models for hydrolysis, biolysis, oxidations, volatilization, and photolysis. Both treat sorption/desorption as local equilibria. These codes allow the user to specify either constant or time-variable transport and reaction processes. 

Since its introduction in 1971, SPICE (Simulation Program with Integrated Circuit Emphasis) has become the most popular analog simulation tool in use today. In the last 15 years, we have seen explosive growth in the use of SPICE, with the addition of Berkeley SPICE 3 enhancements, and support for C code model and mixed-mode simulation using XSPICE (Cox et al. 1992, Kielkowski 1994).We have also seen many new companies emerge as developers of SPICE-based simulation tools, most of which are currently available for the PC platform. 

After acquiring the FORTRAN source code and documentation for Dassl (or other differential-algebraic solver) from www.netlib.org, write a simulation program to solve this problem. 

Parsimony. The complexity of the models and simulation procedures should be no more complex than necessary to meet the objectives of the simulation project. Program codes sufficient to generate models, simulate trials, and perform rephcation and simulation project level analyses should be retained but there is no need to store simulated trials and analysis results that can be reproduced from these codes (3). 

At present three different codes are widely used for calculations of the structural and spectroscopic properties of H-bonded crystals, for example see Refs. [82-85]. The Car-Parrinello molecular dynamics (CPMD) program [86] and the Vienna ab initio simulation program (VASP) [87, 88] use a plane wave basis set, while an atom centered set is used with periodic boundary conditions in the CRYSTAL... 

All of these interactions by gamma rays with the detector can be modeled by a gamma-ray simulation program such as the previously cited Monte Carlo n-particle code, version 4. Modeling requires precise information on the location and material of the source, detector, and surroundings. A description of the detector such as that shown in Fig. 8.9 must be obtained from the supplier because the detector container is sealed. 

There is no unique, clearly defined protocol for free energy calculations. First of all, the available hardware imposes limitations, especially if very long simulations are required. Second, one is limited by the features and options of the computer software that is available. The molecular simulation programs that allow for free energy difference evaluations usually have specific options and features that reflect the programmers development of the methodology. Each program is likely to have features that are not found in any of the other codes. 

The first core of FBTR uses 70% PuC-30% UC. Reprocessing of this fuel with high Pu content requires special attention and computer simulation becomes essential. Towards this, SIMPSEX (SIMulation Program for Solvent Extraction) code has been developed, which... 

It is rarely applied with all the parameters being active. Its advantage is that the user of a simulation program can handle many different equations with one single formula code. 

After all CFPs are determined, the f-shell program code written by M.F. Reid [33] can be employed to calculate the 4f and 4f 5d CF energy levels and simulate the 4f-5d transition spectrum of Tm " ions in all considered cases. The results of these calculations are described below after the description of properties of pure CaCl2, SrCl2, and BaCl2. 

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