Multiscale modeling: Application to industrial process and product development

A.J. Adamczyk
Air Products and Chemicals, Inc.,
United States

Keywords: multiscale modeling, product development


Applications of multiscale modeling for product and process development at Air Products and Chemicals, Inc., a manufacturer of industrial gases and chemicals, will be discussed. The company serves customers in industrial, energy, technology, personal care, and electronics markets worldwide with a unique portfolio of atmospheric gases, process and specialty gases, performance materials, and equipment and services. Example applications of multiscale modeling will be selected from business areas including industrial-scale gas production, polymers, and electronics. Classical and quantum chemical methodologies, as well as microkinetic modeling and structure-activity correlation techniques, have been employed and will be discussed.