Molecular Knowledge Systems, Inc.

Consulting Services

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We work as a member of your team contributing expertise in chemical product design, molecular design, physical property estimation, and structure property relationships. We give our customers a deeper, often molecular level, understanding of their processes and products.

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Our product methodology is described in the section to the right. The following paragraphs summarize some of the projects in which we have used this methodology.

See below for summaries of some of our consulting projects. Although these projects seem extremely diverse, many required understanding the same basic physical properties, e.g., solubility, volatility, reactivity, etc. Our expertise at understanding these basic properties is our value added to these consulting projects.

Since 1989 Molecular Knowledge Systems has been assisting customers:

  • Design chemical products having better performance and lower environmental impact
  • Tailor property estimation techniques for their important classes of chemicals
  • Relate their product’s composition and molecular structure to performance
  • Replace hazardous solvents with safe solvents and solvent blends
  • Formulate mixtures having precisely tailored physical properties
  • Identify new applications for their existing chemical products

We have worked on projects involving replacement refrigerants, liquid lubricants, polymeric packaging, separation solvents, thickeners, emulsifiers, emollients, and fuel additives. Although these projects involve a broad range of chemical products we typically follow the same steps for each project:

  • Compile relevant prior research focusing on thermodynamic, rheological, environmental, and safety analyses of the process or product.
  • Develop detailed, quantitative constraints on physical properties and molecular structure.
  • Compile or develop physical property estimation techniques tailored for the specific chemicals being investigated.
  • Use these estimation techniques to computationally generate and test tens of thousands of molecular structures or formulations searching for those that satisfy our constraints.
  • Assist in the development of experimental procedures to evaluate these initial candidates.
  • Analyze experimental results to improve constraints and estimation techniques.
  • Recommend an updated set of candidates for experimental testing.

By using these steps we provide a rapid, cost effective, and highly efficient search for chemicals possessing the physical properties you need.