We are a leading provider of computer software and consulting services for physical property estimation and chemical product design.
News and Events
Process Development Symposium: We will be exhibiting at this year’s AIChE symposium in Providence, Rhode Island from June 7 through June 9. We will be demonstrating our newly released Cranium 3.0. Also, Dr. Kevin Joback will present a poster on designing better chemicals for inkjet printing technology.
Philadelphia ACS Meeting: We will be exhibiting at this year’s American Chemical Society meeting from August 21 through August 23 at the Pennsylvania Convention Center in Booth 438 (at the back on the left). We will be demonstrating our newly released Synapse 2.0.
We now have three discussion groups on the LinkedIn Network:
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Recent Investigations and Developments
CRANIUM 2.0: A new version of Cranium, our physical property estimation software package, is now released. We added more capabilities for predicting the physical properties of mixtures, entering the structures of electrolytes and polymers, and exporting data to process simulators such as CHEMCAD (Chemstations), Pro II (SimSci) and Aspen. Please test it out, send us your comments and keep checking back for additional knowledge bases.
Watch a short video demonstrating some of Cranium's key capabilities.
Cranium Tour Video
Other Investigations and Developments
  • The effect of pressure on the melting point of organic compounds. more...
  • Designing improved energy storage chemicals for hybrid vehicles
  • Designing an improved windshield washer fluid for automobiles.
  • Design of environmental friendly aircraft anti-icing fluids.
  • Design of novel, less hazardous rocket fuels.
  • Estimating the flash points of mixtures.
Software Products
Synapse - A chemical product design system focusing on the generation and screening of new molecular structures and mixtures. Synapse automatically constructs new chemicals and formulations, predicts their macroscopic physical properties, and screens these properties against a set of design constraints. A demonstration version is available for download.
Cranium - A physical property estimation package capable of estimating over 30 physical properties. Simply draw your molecule's structure or enter your mixture's composition and Cranium will provide rapid and accurate estimates. A demonstration version is available for download.
Consulting Services
Chemical Product Design - We can assist in the development of new chemical products. Past projects have included the design of phase change materials, environmentally friendly solvents, lubricants, heat transfer fluids, sonar fill fluids, polymeric membranes and aircraft deicing fluids.
Solvent Selection and Chemical Substitution - Replacing environmentally incompatible solvents, refrigerants, and lubricants with improved substitutes can dramatically reduce pollution. We combine our in-house software tools and solvent expertise with partnerships for laboratory and pilot plant testing to offer a complete substitution service.
Open Innovation
Molecular Knowledge Systems is proud to be recognized as a NineSigma Solution Provider. We have won multiple contracts through our participation in NineSigma including projects for:
NineSigma Contract Winner
  • the Praxair New Helium Applications contest
  • environmentally friendly freezing point depressants
  • developing new energy storage chemicals