Lyondell Chemical
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
License: Freeware | Size: 10 KB | Download (48): Application of Optimization to the Study of Chemical Processes Download |
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
License: Freeware | Size: 10 KB | Download (48): Calculation of High-Pressure Chemical Equilibrium: Case of ammonia synthesis Download |
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
License: Freeware | Size: 13.62 MB | Download (48): BETR-Research Download |
DRCS (Dimensionless Reaction Coordinate Software) calculates a dimensionless reaction coordinate for chemical reactions that can be used to classify transition states (and other geometries along a reaction path) as either early or late.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 10.03 KB | Download (48): DRCS Download |
Web-based Electronic Laboratory Notebook (ELN) with integrated Chemical Inventory by the group of Prof. Goossen (TU Kaiserslautern, Germany), based on PHP/MySQL. Allows (sub-)structure search, reaction planning, management of spectra and literature.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 15.18 MB | Download (48): open enventory Download |
The ChemSense Studio software supports the creation and sharing of text, images, graphs, drawings, and storyboard animations of chemical processes. The ChemSense Animator can be run as a separate, stand-alone application. See http://chemsense.sri.com
Platforms: Windows, Mac, Linux
License: Freeware | Size: 5.05 MB | Download (47): chemsense Download |
NMRShiftDB is an open-source, open-access, open-submission, open-content web database for chemical structures and their nuclear magnetic resonance data.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 7.73 MB | Download (47): NMRShiftDB Download |
OpenChem Workbench is an enterprise software suite designed for creating, saving, searching, and exchanging chemical data. It uses existing tools (NIST, Gaussian, CHEMKIN) and its own (easy molecule building, mechanism management, group additivity, etc.)
Platforms: Windows, Mac, Linux
License: Freeware | Size: 5.94 MB | Download (47): OpenChem Workbench Download |
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
License: Freeware | Size: 10 KB | Download (47): Enzkin Download |
This m-file gives the atomic weight of any element or molecular weight of any chemical species.Input:species = (cell array)The species is the 'formula'.Output:Atomic weight of any element or molecular weight of any chemicalspecies.
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (46): amolwt Download |
Science Laboratory Inventory and Orders Management System: more suitable for school's science laboratories to manage stored items (chemical and equipment) and add a way to order them on-line for science lessons and practical experiments.
Platforms: PHP
License: Freeware | Size: 3.02 MB | Download (46): Science Lab Inventory & Order Management Download |
Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. It can be used from MATLAB, Python, C++, or Fortran.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 3.74 MB | Download (46): Cantera Download |
A Java program to parse chemical names using IUPAC nomenclature. The output can be either a visualisation of the molecule, or in a form for other programs to use (e.g. CML).
Platforms: Windows, Mac, Linux
License: Freeware | Size: 985.52 KB | Download (46): ChemNomParse Download |
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
Platforms: Windows, Mac, Linux
License: Freeware | Size: 3.23 MB | Download (46): OllinTS Download |
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...
Platforms: Matlab
License: Freeware | Size: 102.4 KB | Download (46): Molecular Weight Calculator Function Download |
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
License: Freeware | Size: 10 KB | Download (46): Equilibrium Constants Computation using the Soave-Redlich-Kwong equation of state Download |
Determine the reaction order of a chemical reaction of the form: rate = Ao*[A]^a*[B]^b*exp(-Ea/R*T)kinetic order determination by wide area search and model-data error minimizationkinfit attempts to determine the optimal order of reaction (a and b) of the form rate = Ao * [A]^a * [B]^b *...
Platforms: Matlab
License: Shareware | Cost: $0.00 USD | Size: 10 KB | Download (46): Kinetic Order Determination Download |
This code generates the electronic distribution for known chemical elements
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (45): Electron distribution Download |
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
License: Freeware | Size: 29.11 MB | Download (45): chemicalInventory Download |
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
License: Freeware | Size: 8.69 KB | Download (45): ChemMap Download |