Chemical Equation Solver

This 15-line matlab program solves the nonlinear reactiondiffusion equation, called Kolmogorov-Petrovskii-Piskunov(KPP) equation to generate patterns (ribbons and rings).The numerical method is simple and program is easy tounderstand, and it can be extended to simulatedmore complex systems. The...

It gets command line inputs from user about highest power and coefficients of characteristic equation and generates the table.It also comments on the stability of the system.

The script can display how the route rearranges at each script iteration.The input for the program is an Nx2 cities array sorted in the initial traveling path.The output is the cities arranged in a more effective route, index vector of the order the cities should be visited & the total rout length.


Platforms: Matlab

The Chemical Structures Project is a set of 3D structures of molecules in CML format. Each file contains also some physical properties, which can be access using a web browser or a CML file reader.


Platforms: Windows, Mac, Linux

C-Library & Matlab Toolbox implement a numerical solution of Poisson equationdiv(e*grad(u))=ffor Cartesian 1D, Cartesian 2D and axis-symmetrical cylindrical coordinates with respect to steeply varying dielectrical permittivity e.Library uses regular rectangular grid with mixed boundary...


Platforms: Matlab

AQUILA is a MATLAB toolbox for the one- or two dimensional simulation of the electronic properties of GaAs/AlGaAs semiconductor nanostructures. The program solves for a user-defined structure the one- or twodimensional Schroedinger- and Poisson-Equation in a self-consistent way.


Platforms: Matlab

yades - 'yet another differential equation solver'. This Java application solves ordinary differential equations (ODE) numerically and displays the results as tables, graphs, direction fields or vector fields.


Platforms: Windows, Mac, Linux

Boolean Expression Solver is a command-line utility that generates a truth table for a given Boolean expression.


Platforms: Windows, Mac, Linux

AMBIT offers chemoinformatics functionality via REST web services and desktop applications. Chemical compounds and data storage in MySQL database; substructure, similarity and other queries, descriptor calculation and predictive models building.


Platforms: Windows, Mac, Linux

Matlab files include Gaussian numerical quadrature, Newton's method for finding roots, finite element method for 1D wave equation, and pattern formation (KPP anda system of two coupled PDEs).


Platforms: Matlab

Calculates sound speed in fresh (distilled) water as function of temperature (Celsius) using six-term Marczak equation. See "salt_water_c.m" for sea water speed calculations


Platforms: Matlab

We use the SRK equation of state to compute the correction factor due to gas-phase nonideality as a result of the high pressure applied in the ammonia synthesis. We also compute the extent of reaction. Plots of these two quantities versus pressure for temperature equal to 800K are presented. The...


Platforms: Matlab

Python Sudoku solver - finds all solutions for a given Sudoku board.


Platforms: Windows, Mac, Linux

The five programs provided solve several process design problems. These examples were originally provided as applications of process design optimization by Edgar, Himmelblau and Lasdon in their excellent book entitled Optimization of Chemical Processes, McGraw-Hill International Edition, 2001....


Platforms: Matlab

Boundary Control via Modified Smith Predictors for Beam Equation with Delayed Boundary MeasurementSmith predictor and its variants are applied to the boundary control of Euler-Bernoulli beam equation with delayed boundary measurement. The well-known instability problem due to a small time delay...


Platforms: Matlab

ENZyme KINetics is the study of the chemical reactions that are catalysed by enzymes. In enzyme kinetics the reaction rate is measured and the effects of varying the conditions of the reaction investigated. Studying an enzyme's kinetics in this way can reveal the catalytic mechanism of this...


Platforms: Matlab

It needs highest power and coefficients of the characteristic equation. It will also comment on stability of the system.


Platforms: Matlab

Sound speed in sea water as function of depth, temperature and salinity using nine-term Mackenzie equation


Platforms: Matlab

Design of a robust digital controller with PPR toolboxThis script shows the basic steps for the "digital two degrees of freedom controller" (2DOF) design with the PPR toolbox.The illustration of our methodology is based on a difficult plant control. To get a 2DOF controller, only 2 "high level"...


Platforms: Matlab

In the program, we obtain equilibrium constants, compressibility factors, molar volumes and densities using the Soave-Redlich-Kwong equation of state. We find the same results as those given by Henley and Seader in Equilibrium-Stage Separation Operations in Chemical Engineering, Wiley, 1981...


Platforms: Matlab