Chemical Equations

The OpenFOAM comes from Open Field Operation and Manipulation, and can simulate anything from complex fluid flows involving chemical reactions, turbulence and heat transfer, to solid dynamics, electromagnetics and the pricing of financial options. The core technology of OpenFOAM is a flexible...

Gerris project is an Open Source Free Software library for the solution of the partial differential equations describing fluid flow. Gerris is supported by NIWA (National Institute of Water and Atmospheric research) and by the Marsden Fund of the Royal Society of New Zealand. The code is...

Nomen project is a tool which creates chemical structures from valid IUPAC names. It outputs a 2D view and (optionally) a CML file..


Platforms: *nix

Jmol is an applet and Java based application designed to display various 3D chemical information. Jmol's features include reading a variety of file types and output from quantum chemistry programs, and animation of multi-frame files and computed normal modes from quantum programs....


Platforms: Windows

SketchEl is an interactive chemical molecule sketching tool, and molecular spreadsheet data entry application. The feature set provided by the molecular sketcher is largely limited to the minimum features required to conveniently edit diagram representations of small molecule structures....


Platforms: Windows

ChemDigiT is a chemical calculator. No approximations made. All calculated variables show their exact values. The algorithm used for calculations is based on a full set of equations describing acid/base and salt dissociation equlibrium solved with Newton Raphson method. pH calculation...


Platforms: Windows

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

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. * Ready-to-use...


Platforms: Windows, Mac, *nix, C/C++, BSD

Xem Application allows you to solve pH balance equations. Requirements: - Qt


Platforms: *nix, C/C++, BSD

For an input of n equations, it converges to the solution.For an input of >n equations, there is no exact solution. In this case, the function minimizes sum( (individual equation errors).^2)


Platforms: Matlab

Two tanks in are disposed in series. The level of tank 2 must be controlled despite a sine wave disturbance in the flow F3. This is achieved by changing the flow rate F0 of liquid to tank 1. The tanks areas are A1 and A2. Flow equations depends on constants K1 and K2. A proportional control with...


Platforms: Matlab

solvesimul.m can be easily adapted to solve more equations but as it stands it will solve 2 unknowns in 2 equations (1 non-linear and one linear).To solve equations of this form... a*x + b*y = A (1) a1*x^2 + b1*y^2 = B (2)...with fsolve (used by solvesimul.m) you need to rewrite them so that they...


Platforms: Matlab

It estimates the Newton Raphson optimization procedure for (m) unknowns of (n) non-linear equations. In case no Jacobian vector is presented, then the initial Jacobian vector is estimated by Broyden Method (multivariate secant approach) and it is then updated using the Sherman Morrison...


Platforms: Matlab

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

It is application of of Simulink Block to Cardiac PDE VI1 system of 2 non linear coupled equations of PDE and try to design solution with dicretized space and time and issue in 1D.I associate a Doc file to introduction theory.Just see this page simulink and not for run.I will next time develop...


Platforms: Matlab

We use a batch column with four theoretical plates to separate a binary mixture of water and methanol at 1 bar. Temperature and concentration profiles versus time are obtained for a reflux ratio equal to 10. In addition, the total moles in the still and distillate are plotted versus time. This...


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

This function solves the linear fractional-order differential equations (FODE) with constant coefficients. The short memory principle has not neen used here, so the length of input signal is limited to few hundred samples. The parameters of the FODE (in its standard form) are the inputs of this...


Platforms: Matlab

This code generates the electronic distribution for known chemical elements


Platforms: Matlab

Two mass variable equations with "Aerospace 3Dof Simple Variable Mass Blockset" are compared in a 1Dof frictionless environment. Initial conditions are given in Model Callbacks.Results showed that "Aerospace 3Dof Simple Variable Mass Blockset" uses the incorrect equation.


Platforms: Matlab