Simulation analysis

Ha S, J Gao, B Tidor, J W Brady and M Karplus 1991. Solvent Effect on the Anomeric Equilibrium in d Glucose A Free Eneigy Simulation Analysis. Journal of the American Chemical Sod. ty 113 1553-1557... 

Evaluating off-design performance is strongly recommended for the purpose of improving the operating reliability of both power recovery sets and processing plants. To do this evaluation, a simulation analysis should be based on velocity diagrams, the law of similarity, and expander performance maps. 

Tavare, N.S., 1995. Industrial crystallization Process simulation, analysis and design. New York Plenum. 

These results on bidisperse melts are clearly rather preliminary but, nevertheless, encouraging, since they show that the problem is now within reach of computer simulation analysis. Again this is a line of research which will require more efforts in the future. 

Tidor, B., Helix-capping interaction in A-Cro protein — a free-energy simulation analysis, Proteins Struct. Func. Genet. 1994,19, 310-323. 

The greater number of folds in larger proteomes is intuitively obvious simply because the functioning of more complex organisms is expected to require a greater structural diversity of proteins. From a different perspective, the increase of diversity follows from a stochastic model, which describes a proteome as a finite sample from an infinite pool of proteins with a particular distribution of fold fractions ( a bag of proteins ). A previous random simulation analysis suggested that the stochastic model significantly (about twofold) underestimates the number of different folds in the proteomes (Wolf et al., 1999). In other words, the structural diversity of real proteomes does not seem to follow... 

NET RATE CONSTANT METHOD Simulation, analysis, and modeling program, SAAM... 

MacKerell, Jr., A. D. (1995) Molecular dynamics simulation analysis of a sodium dodecyl sulfate micelle in aqueous solution decreased fluidity of the micelle hydrocarbon interior. J. Phys. Chem. 99, 1846-1855. 

Tavarc, N.S. Industrial Cryslallizalion Process Simulation Analysis and Design. Perseus Publishing, Boulder, CO. 1995. 

Costamagna P., Cerutti F., Di Felice R., Collins R. (2004) Utilization of gases from biomass gasification in a reforming reactor coupled to an integrated planar solid oxide fuel cell Simulation analysis. Thermal Science 8, 127-142. 

Alos, M.A., Nomen, R Sempere, J.M., Strozzi, F. and Zaldivar, J.M. (1998) Generalized criteria for boundary safe conditions in semi-batch processes simulated analysis and experimental results. Chemical Engineering and Processing, 37, 405-21. 

Bridges, D.C. (1998). A simulation analysis of the use and benefits of triazine herbicides. In L.G. Ballantine, J.E. McFarland, and D.S. Hackett, eds., Triazine Herbicides Risk Assessment. ACS Symp. Series 683, Washington DC American Chemical Society, pp. 24-34. 

Fig. 14.11 Schematic representation of fiber spinning process simulation scheme showing the multiple scale simulation analysis down to the molecular level. This is the goal of the Clemson University-MIT NSF Engineering Research Center for Advanced Engineering Fibers and Films (CAEFF) collaboration. CAEFF researchers are addressing fiber and film forming and structuring by creating a multiscale model that can be used to predict optimal combinations of materials and manufacturing conditions, for these and other processes.

Tavare, N. S. (1995). Industrial Crystallization Process Simulation, Analysis and Design, Plenum, New York. 

Barney K. Huang, Computer Simulation Analysis of Biological and Agricultural Systems, CRC Press, Boca Raton, FL, 1994. 

Fixed-bed reactors may exhibit axial dispersion. If axial dispersion is important for reactor simulation, analysis, or design, a variant of the one-dimensional homogeneous model that contains an axial dispersion term may be used. Approximate criteria to determine if mass and heat axial dispersion have to be considered are available (see, e.g., Froment and Bischoff, Chemical Reactor Analysis and Design, Wiley, 1990). 

The Technical Secretariat of the Organization for the Prohibition of Chemical Weapons (OPCW) provides a proficiency-testing scheme for the analysis of samples in the context of the CWC. The design of the scheme should simulate analysis of authentic samples that are taken during inspections. The purpose of the scheme is to select, certify, and train highly competent laboratories for the analysis of CWC-related chemicals in various matrices. The Technical Secretariat designates laboratories, which perform successfully in the scheme, to support it in such analysis should they become necessary during the course of its verification activities. 

Tidor, B., and Karplus, M. (1991) Simulation analysis of the stability mutant R96H of T4 lysozyme,... 

Taylor, R. Simulation analysis of experimental design strategies for screening random compounds as potential new drugs and agrochemcials./. Chem. Inf. Comput. Sci., 1995, 35,59-67. 

Taylor, R. Simulation Analysis ofExperimental Design Strategies for Screening Random Compounds as Potential New Drugs and Agrochemicals. J. Chem. Inf.Comput. Sci.,... 

M. Boger, D. Veynante, H. Boughanem, and A. Trouve. Direct numerical simulation analysis of flame surface density concept for large eddy simulation of turbulent premixed combustion. In 27th Symp. (Int.) on Combustion, pages 917-927, Boulder, 1998. The Combustion Institute, Pittsburgh. 

Moran, M. A., Legovic, T., Benner, R. Hodson, R. E. (1988). Carbon flow from Ugnocellulose a simulation analysis of a detritus-based ecosystem. Ecology, 69,1525-36. 

FIGURE 8.7. Comparison of the volume of reaction field between the heterogeneous and homogeneous ETs. The thickness of the reaction field for the homogeneous ET was estimated by a digital simulation analysis for the Fc (NB)-Fe(CN)6 (W) system [30]. Reprinted from Ref. [28], with permission from the Polarographic... 

Figure 16 He I PE spectrum of the first IE band of Mo2(02CMe)4 and simulated analysis of the vibrational structure...

---