Chemical Oxidizers

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...

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....

It is desired for modern process systems to achieve optimal operation. However, operation at a pre-designed nominally optimal point may not necessarily be actually optimal due to realtime disturbances, measurement and control errors and uncertainties. Self-optimizing control aims to tackle this...


Platforms: Matlab

A reaction object contains parameters that describe a chemical reaction scheme in terms of reagents, reaction steps, rate constants and equilibrium constants. The reaction can be evaluated to provide concentrations of species as a function of time and starting concentration. The reaction can also...


Platforms: Matlab

The program allows one to choose the best reactor setup among three alternatives: (1) a plug flow reactor with recycle, (2) a combination of a plug flow reactor and a stirred tank reactor in series and (3) two stirred tank reactors in series. This problem was solved graphically by O. Levenspiel...


Platforms: Matlab

iso2l (ˈaisəutuːl, spoken isotool) is a software to calculate the isotopic distribution of a chemical formula or a amino acid chain.


Platforms: Windows, Mac, Linux

MesoRD is a stochastic and deterministic simulator of coupled chemical reactions and diffusions in space.


Platforms: Windows, Mac, BSD, Solaris, Linux

Metmask is a tool written in python for managing chemical identifiers for metabolomics experiments. It can incorporate identifiers from local textfiles, several online databases, query PubChem and record all found associations in a local sqlite database.


Platforms: Windows, Mac, Linux

The purpose of this program is to simulate the permeation time lag in a polymer hollow fiber membrane with a dual mode sorption isotherm and the partially immobilized diffusion model.The program plot the 3D time lag with two models:1) concentration gradient as the driving force for diffusion2)...


Platforms: Matlab

DISOPE + MOMENTUM + PARTAN Algorithm to improve convergence of a nonlinear dynamic system.Study covers application for chemical process industries, robotics, genomics, etc.


Platforms: Matlab

The STP IdealBoseGasIntegral program numerically determines the value of the chemical potential of an ideal Bose gas for a given temperature and density. STP IdealBoseGasIntegral is part of a suite of Open Source Physics programs that model aspects of Statistical and Thermal Physics (STP). The...


Platforms: Mac

Download this easy to use and easy to install website traffic monitoring tool. Get daily reports of all your website traffic and most popular keys. You can see the sites your traffic was referred from, most popular keywords, pages your visitors visited and much more. To install you will need to...


Platforms: Windows, *nix, Windows 7, Linux Console, Linux Open Source, Linux Gnome

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: *nix

From undergraduate chemistry, we know how to test whether a reaction is 0th, 1st, or 2nd order by plotting different transformations of the data, and inspecting which plot fits the best.This program does the same thing. It transforms the data using different values of the order, attempting to...


Platforms: Matlab

massXpert is about mass spectrometry. This is software that runs on MS-Windows, Apple-Mac-OS-X, GNU-Linux, and almost all variants of the UNIX system. With massXpert you actually have four programs in one : 1. With the XpertDef module you define brand new polymer chemistries (what are the...


Platforms: Mac

GLARE is a free software that facilitates and improves the design of chemical combinatorial libraries. This program reduces or eliminates the time a combinatorial chemist spends examining reagents which a priori cannot be part of a 'good library'. The principal objective of the algorithm behind...


Platforms: *nix

Professor Jim Wilkes provides representative values of the volumetric flow rate versus the applied pressure gradient for horizontal flow in a pipe [1]. The pipe radius is equal to 0.01 m. We use these representative values, in conjunction with the analytical expression of the volumetric flow...


Platforms: Matlab

GnuPinch is a pinch analysis and supertargeting tool. GnuPinch can calculate heat exchanger networks (HEN) with minimum energy requeriments and minimum cost. It also can calculate other parameters of the pinch analysis of a chemical process.


Platforms: *nix

* jCompoundMapper provides popular fingerprinting algorithms for chemical graphs such as depth-first search fingerprints, shortest-path fingerprints, extended connectivity fingerprints, autocorrelation fingerprints (e.g. CATS2D), radial fingerprints (e.g. Molprint2D), geometrical Molprint, atom...


Platforms: Mac

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.


Platforms: *nix