Chapters authored
News Aspects Theoric and Experimental to Paraffins Compounds
The paraffinic compounds are important to new investigation on the properties physics and its correlation with theoric dates, because in literature no is completely clarified. However, there are some studies on the formalism for developing asymptotic behavior correlation for homologous series paraffin compounds. In this work is show that the effect of parameters theoric obtained by molecular modeling can be correlated with experimental dates. To paraffins as pure, for example, n-hexane, C6H14, MW 158 g/mol, is composed of two groups CH3 and four groups CH2 and its can depending of structure molecular ramification to predict what your dependency with thermodynamics data. Therefore, the molecular modeling of paraffinic compounds uses a methodology that looks for data correlated with the structure of the molecule complemented with experimental data. The objective this study is correlated this molecular data with some thermodynamics data as enthalpy of formation and other parameters.
Part of the book: Paraffin