Polyurethane process intensification: A model study

I&EC 121

E K Gibson, emmgib@chem.gla.ac.uk1, R Carr2, A Eaglesham2, David Lennon3, K Muir1, S. Parker4, and John M Winfield, johnwin@chem.gla.ac.uk1. (1) Department of Chemistry, University of Glasgow, Joseph Black Building, University Avenue, Glasgow, G12 8QQ, United Kingdom, (2) Huntsman Polyurethanes, Everslaan 45, 3078, Everberg, Belgium, (3) Department of Chemistry, Glasgow University, Glasgow, G12 8QQ, United Kingdom, (4) ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxon, OX11 0QX, United Kingdom
Polyurethanes, formed by reaction of isocyanates and polyols are ubiquitous in modern life. Side reactions of the first stage amine reagent with HCl form unwanted hydrochloride salts, seriously impeding process efficiency. Modelling the industrial amine using 4-benzyl aniline (4-BA) a variety of techniques have been used to determine the solid-state interactions of 4-BA and 4-BA.HCl. Periodic DFT calculations have aided vibrational assignments. Thermal characteristics and solution phase behaviour investigated by TGA and 1H NMR, facilitate the development of a kinetic model, Fig. This multi-technique approach indicates ways in which the process may be optimised.

 

Process Intensification, Sponsored by Novel Chemistry with Industrial Applications Sub-Division
9:00 AM-11:30 AM, Tuesday, 12 September 2006 Moscone Center -- Room 250, Oral

Division of Industrial & Engineering Chemistry

The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006