DelPhi program

How can Equation (11.79) be solved Before computers were available only simple ihapes could be considered. For example, proteins were modelled as spheres or ellipses Tanford-Kirkwood theory) DNA as a uniformly charged cylinder and membranes as planes (Gouy-Chapman theory). With computers, numerical approaches can be used to solve the Poisson-Boltzmann equation. A variety of numerical methods can be employed, including finite element and boundary element methods, but we will restrict our discussion to the finite difference method first introduced for proteins by Warwicker and Watson [Warwicker and Watson 1982]. Several groups have implemented this method here we concentrate on the work of Honig s group, whose DelPhi program has been widely used. 

Possible secondary structures of pardaxin (6) were predicted by the Delphi program (12) using decision constants (DHA = -75, DHE = 50) that favor a helices over extended segments and by the Amphi program that identified possible amphipathic a helices and p strands (Guy, unpublish data). Delphi predicted that pardaxin segments 1-8 and 16-25 were a helices and the remainder may be coils or turns. Amphi predicted that segments 1-12 and 13-28 could form amphipathic a helices. 

To do this calculation a Borland Delphi program based on image processing techniques, named as VoidScan [26], has been developed to evaluate the percentage of void in eaeh photo. The screenshot of the software is shown in Figure 5. 

SoUd Oxide Fuel Cell AuxiUary Power Unit Delphi Program Overview Essential Power Systems Workshop, 12-13th Dec 2001... 

The model for the batch suspension polymerization reactor was developed using in the gPROMS simulator. A windows based interface developed in Delphi programming language was employed to build, modify and run the reactor model. The model can predict the monomer conversion, initiator(s) and blow agent (pentane) concentrations, polymerization rate, molecular weight distribution of polystyrene, external jacket inlet/outlet temperatures, and the reactor temperature and pressure. 

The holistic thermodynamic approach based on material (charge, concentration and electron) balances is a firm and valuable tool for a choice of the best a priori conditions of chemical analyses performed in electrolytic systems. Such an approach has been already presented in a series of papers issued in recent years, see [1-4] and references cited therein. In this communication, the approach will be exemplified with electrolytic systems, with special emphasis put on the complex systems where all particular types (acid-base, redox, complexation and precipitation) of chemical equilibria occur in parallel and/or sequentially. All attainable physicochemical knowledge can be involved in calculations and none simplifying assumptions are needed. All analytical prescriptions can be followed. The approach enables all possible (from thermodynamic viewpoint) reactions to be included and all effects resulting from activation barrier(s) and incomplete set of equilibrium data presumed can be tested. The problems involved are presented on some examples of analytical systems considered lately, concerning potentiometric titrations in complex titrand + titrant systems. All calculations were done with use of iterative computer programs MATLAB and DELPHI. 

It was indicated that the original method can be extended on systems where two or three analytes can be determined from a single titration curve. The shifts DpH affected by j-th PT addition should be sufficiently high it depends on pH value, a kind and concentration of the buffer chosen and its properties. The criterion of choice of the related conditions of analysis has been proposed. A computer program (written in MATLAB and DELPHI languages), that enables the pH-static titration to be done automatically, has also been prepared. 

FIGURE 2.26 Change of cell performance versus time for anode-supported cells subject to different concentrations of H2S poison. (From Sprenkle, V. et al., Sulfur Poisoning Studies on the Delphi-Battelle SECA Program, 2007. Permission pending.)... 

Sprenkle V, Kim JY, Meinhardt K, Lu C, Chick L, Canfield N et al. Sulfur poisoning studies on the Delphi-Battelle SECA program. Presented at The 31st International Cocoa Beach Conference and Exposition on Advanced Ceramics and Composites, 2007 Daytona Beach, FL. 

BMW, Delphi, Global Thermoelectric4 passenger car 1-5kWnet Gasoline, SOFC Technology development program... 

The second term in Equation 1, . involves carrying out a Poisson-Boltzmann calculation and evaluating the exposed surface area of all atoms for all the snapshots for C, M, and L. Currently, we use Hartree-Fock (HF)/6-31G restrained electrostatic potential (RESP) charges and PARSE radii for the PB calculation within DELPHI and the program... 

VMRIA VMRIA a program for a full profile analysis of powder multiphase, neutron diffraction time of ffight (direct and Fourier) spectra, V. B. Zlokazov, V. V. Chernyshev, J. Appl. Crystallogr., 1992, 25, 447 451 and DELPHI based visual object oriented programming for the analysis of experimental data in low energy physics, V. B. Zlokazov, Nucl. Instrum. Methods Rhys. Res. A, 2003, 502(2 3), 723 724 Rietveld refinement of TOF data... 

RI is a program that supports the development and execution of rule scripts, written in rule description language (RDL) [25]. RDL combines substructure search with descriptor-oriented selection, incorporates Boolean logic, and allows the generation of a tree-like decision structure. RI was written in Delphi code under MS Windows and derived from the OASIS SAR system [26,27]. 

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