ABSTRACT

ABST R AC T A number of molecules are already identied as biofuel candidates. Additional candidates have been proposed in the literature and still more may be found through Computer Aided Molecular Design (CAMD). These designed molecules can be tailored to the numerous requirements posed by combustion engines. To this end, group contribution methods are required to describe the combustion properties so that the inverse problem of designing a molecule that meets specied targets can be solved. A new group contribution method for the laminar burning velocity is presented here, but due to the small amount of measured data, only few group contributions can be determined. The accuracy and the usefulness of the method could nevertheless be demonstrated by the correct prediction of the laminar burning velocity of ethanol. Here the experimental value was estimated with an error of 5.9%.