Chemical Bonding Webquest

This project going to develop a thermodinamical server for chemical simulation, equip design, scientific module for other aplication or chemical education. Also the thermo server is developed to complete the project of chemical simulation Sim42.Spanish

MolMass is a function for calculating the molar weight of a substance given in form of a chemical formula.Function call: MM = MolMass(substance)Substance is a string of the chemical formula of a substance.Example: MM = MolMass('Fe2(SO4)3');Substance can also be a vector of substances opened by...

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

This code generates the electronic distribution for known chemical elements


Platforms: Matlab

chemicalInventory is a chemical intelligent tool for managing chemical inventories.Main features: Find chemicals via substructure or text searches. Manage container and shelf locations, check containers in and out or transfer containers between users.


Platforms: Windows, Mac, Linux

A Molecular Chemical Viewer using OpenGL and Platform independent provided for the study of Chemicals, including physical, chemical and visual properties.


Platforms: Windows, Mac, BSD, Linux

EasyChem is designed to draw chemical molecules in an intuitive way, with a very high quality (designed for book-publishing). Exporting is done to various formats (PostScript, Fig, LaTeX, etc.) to help you integrate your drawing in any software you use.


Platforms: Windows, Mac, BSD, Linux

A high-performance simulation package for sampling the chemical and reaction-diffusion master equations. Primarily intended for running stochastic simulations of microbial cells.


Platforms: Mac, Linux

MCDL is a small Java molecular viewer/editor for chemical structures, stored in Modular Chemical Descriptor Language linear notation. Features include accurate structure diagram generation, and Kekule chemical structure creation from aromatic bond list.


Platforms: Windows, Mac, Linux

We would like to rise water temperature with a heater. Oulet temperature must be equal to the set point temperature (80dlT-C). Proportional-Integral-Derivative (PID) control is used. Inlet water temperature is equal to 20dlT-C. Water flow is equal to 10 m3/hr. Tank volume is equal to 100 m3....


Platforms: Matlab

The program computes the composition of benzene, toluene and p-xylene versus time in all column plates. The steady state values are plotted versus the plate number for all three components. This MATLAB program is adapted from an example given in Chemical Engineering Dynamics by Ingham et al.,...


Platforms: Matlab

PID control over the exit raffinate composition (x5) of a five stages column is obtained by changing solvent flow rate (G). The set point is equal to 0.1. The model equations include backmixing effects. This problem is solved using Berkeley-Madonna in Chemical Engineering Dynamics, Ingham et al.,...


Platforms: Matlab

The development and curation of a range of XML-based tools for using Chemical Markup Language (CML), including XSD XML Schemas for validation, datatyping and constraining CML documents and XSLT Stylesheets for transforming, filtering and rendering.


Platforms: Windows, Mac, Linux

Java Native Interface wrapper for the IUPAC International Chemical Identifier (InChI)


Platforms: Windows, Mac, Linux

Given the chemical formula, MolWgt calculates the molecular weight of a substance.


Platforms: Mac, BSD, Linux

ReactionLab is a software package aimed for a unified computer environment to kinetic modeling of chemical reaction systems. The present implementation is founded on Matlab and Java-Swing GUI, with an interface to legacy C (and Fortran) codes.


Platforms: Windows, Mac, Linux

A GUI application which estimates toxic hazard of chemical compounds. The latest version includes the following toxicity prediction modules: -Cramer rules (oral toxicity) -Toxicity mode of action via Verhaar scheme -Skin irritation prediction -Eye irritation prediction -Benigni / Bossa...


Platforms: Windows, Mac, Linux

The control of both bottom and distillate compositions is achieved by using conventional two point feedback control (WoodandBerry1) and non-interacting control (WoodandBerry2). Because of coupling, conventional control has a poorer performance when compared to the non interacting control system....


Platforms: Matlab

The program computes the tie lines, the operating and mixing points and the number of equilibrium stages using the Hunter and Nash graphical method of a liquid-liquid extraction problem. One feed of acetic acid (35 wt %) in water which flow rate = 1000 kg/hr is extracted using a solvent...


Platforms: Matlab

Gas absorption is a very ubiquitous unit operation in any chemical plant. It has in common with liquid-liquid extraction that there are two carrier streams and one solute to be partioned between them. Here, we use the McCabe and Thiele graphical method to study the separation of acetone from air....


Platforms: Matlab