Thermodynamic and Physical Property Estimation of Compounds Derived from the Fast Pyrolysis of Lignocellulosic Materials

The development of biomass pyrolysis oil refineries is a very promising path for the production biofuels and bioproducts from lignocellulosic materials. Given that bio-oil complex mixture organic compounds, valuable may imply use different separation processes, such as distillation, selective condensation, crystallization based on melting points, liquid–liquid extraction or adsorption, and/or upgrading treatments, catalytic cracking hydrodeoxygenation. In this context, main objectives work are (1) to propose simple but representative composition bio-oil, which can be used surrogate, (2) determine selected thermodynamic, physical, molecular properties compounds included in surrogate using estimation methods calculation procedures. These critical temperature, pressure, volume, normal boiling point, enthalpy vaporization, vapor pressure curves, fusion, heat capacities gas, liquid, solid, gas liquid standard formation, Gibbs free energy Hansen solubility parameters, diameter. This group has been their possible application simulation design thermochemical, separation, processes. Additionally, suitability estimated thermodynamic proposed assessed by comparing experimental literature data with apparent formation predicted weight-averaged contributions well required process at 500 °C.