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Computer-Aided Tool for Chemical Substitution

ChemSub offers options for the identification of hazardous chemicals and suggests their substitution with acceptable hazard effects. It also offers substitution with chemicals that give better economic criteria while also satisfying hazard effect limits. 

ChemSub offers the following new functions (in addition to other common functions from other PSEforSPEED tools)

Database Search

Properties, Hazardous effects, Chemical Uses, Chemical Types and User database

Chemical Substitution

Product Analysis : Product analysis is used to analyze hazard of the product and check various data of each chemical in product.

Substituted Product: Substituted Product is used for searching the alternative compounds and substituting the hazardous composition in the Product.

ChemSub’s Interface

1. Data Search/Retrieval

ChemSub offers 4 types of database search/retrieval options, through its ontology-based database structure. It has over 900000 chemicals in its database, but for less than 5% there are measured property data. 

Properties database:

In this database, ChemSub has 17 properties for chemicals. However, with its link to ProCAPE and ProCAPD, many more properties and chemicals are made available.

Hazardous effects database

The data in this database is classified into 4 types of hazardous effects (health, physical, environmental and others) and within them 26 sub-classes.

Chemical uses and chemical types database

Based on the available data, chemicals are classified in terms of 75 chemical uses and within them, into 825 sub-classes. Chemicals are also classified in terms of 15 types, such as azeo-dye, surfactant, refrigerant and so on.

2. Chemical Substitution-analysis

ChemSub currently offers 2 functions for chemical substitution:

• Product analysis: A product defined by its chemicals present in it, is analyzed in terms of the hazardous effects and properties of the chemicals

• Chemical substitution: An identified chemical is replaced by another with acceptable hazardous effects and economic criteria.

Product Analysis

For more information on ChemSub, Please visit the website here

Want to see more information about ChemSub? Please visit our YouTube Channel for ChemSub demonstration!

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Interested in our software? Please contact us for more information.