Chemical Buffers

This is a nonlinear system of differential and algebriac equations, that describe the dynamics of a continuous bioreactor. The bioreactor simulates the production of ethanol through yeast fermentation. The model is described in:Z. K. Nagy, Model Based Control of a Fermentation Bioreactor using...

The programs compute the bifurcation diagram for the cubic map and a realistic population dynamics model. The value of parameter r, when the cycle of period three appears, is indicated. As expected, for higher values of r, we observe chaotic behaviour. Both models are given in the problems?...

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

CDL provides a generic C++ framework to write algorithms for the calculation of molecular descriptors. CDL provides efficient substructure search, fingerprints and pharmacophore algorithms, and many more for the calculation molecular descriptors.


Platforms: Windows, Mac, Linux

The two programs computes residue curve maps for the methyl acetate and isopropyl acetate chemistries at atmospheric pressure. These calculations involve solving a complex system of differential algebraic equations (DAEs). This can be readily achieved using the built-in function of MatLab,...


Platforms: Matlab

gOpenMol is a tool for the visualization and analysis of molecular structures and their chemical properties. The program uses Tcl/Tk scripting engine and can thus be easily extended without modifying the kernel code. gOpenMol can also be extended by writing extensions using sharable objects...


Platforms: *nix

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

ChemSpider Search is a useful Safari extension for viewing chemical structure images without leaving the current site. Right-click on any compound name, drug name or chemical formula and choose "Search in ChemSpider" to see an image of the chemical structure. Then just click the "View" button to...


Platforms: Windows

DWSIM is a Chemical Process Simulator for Windows, Linux and Mac. Built for the Microsoft .NET 2.0 and Mono Platforms and featuring a rich Graphical User Interface (GUI), DWSIM allows chemical engineering students and chemical engineers to better understand the behavior of their chemical systems...


Platforms: *nix

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

A VST plugin designed to allow manipulation of two buffers in a number of ways. Could be considered as a cross between a simplistic wavetable synthesizer and GRM Tools' Freeze plugin.


Platforms: Mac

Cocoa/Objective-C chemical analysis and computation program; includes gas laws, solutions/solubility, stoichiometry, periodic tables, et alii.


Platforms: Mac

An emacs site-lisp setup that provides a useful package of non-standard emacs lisp extensions, extends the jde mode, adds menu commands for folding mode, buffers associated with the frames they came from and a site-start.el and default.el


Platforms: Windows, Mac, Linux

The program determines the constants Rmax and Km of the Michaelis-Menten model using data given in Fundamentals of Chemical Reaction Engineering by M. E. Davis & R. J. Davis, McGraw Hill, 2003. This data represents the substrate (catechol) concentration versus time. This data was obtained using...


Platforms: Matlab

The Mole Package contains 3 mfiles and 1 matfile. molecules2 calculates molecular masses pertable provides data on the elements sym2an converts a chemical symbol to a valid atomic number (useful for molecules2 and pertable). atoms contains atomic number data.


Platforms: Matlab

Acquires buffers of data from the system default sound card, calculates the power spectrum of the data and plots this along with the raw sampled data to screen.Useful as a quick and dirty (and completely uncalibrated) audio frequency spectrum analyser.See http://iheartmatlab.blogspot.com for...


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

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

BETR-Research (BETRS) is a modelling framework to create spatially resolved multimedia models for the environmental fate- and transport of chemical contaminants. It is intended to serve the research community and can be used as a teaching tool.


Platforms: Windows, Mac, BSD, Linux