Due to the harmful effects of fossil fuels, interest in the use of sustainable energy sources, in particular those derived from biomass, has grown. The present work consists in the development of a computational modeling tool for the composition of the gas mixture, called synthesis gas or syngas resulting from gasification, based on thermodynamic equilibrium. Thus, the flexibility, reliability and computational stability of the stoichiometric equilibrium and Gibbs free energy minimization approaches are evaluated to determine the compositions of the syngas formed in the process. The influence of biomass relative humidity (0, 20 and 40 percent on mass basis), gasification temperature (800, 1100 and 1400 K), fuel air ratio related to stoichiometry (0.2, 0.3, 0.4) and the amount of oxygen in the gasification agent (pure oxygen, air or equimolar mixture of the two) are investigated in the composition of the syngas, as well as in the energy and exergy efficiencies, for biomasses composed of carbon, oxygen and hydrogen. The best model is used to optimize the oxidizing agent concentration and temperature that maximize energy efficiency for biomass with 20 percent relative humidity in the air. These data are used to develop predictive mathematical models using the concept of analysis of mixtures, whose robustness is assessed by analysis of variance (ANOVA). These results are compared with simulations performed in a theoretical model considering the reaction kinetics. the method using Gibbs free energy minimization presented the best results for an initial approximation, becoming a good tool for a design phase. However, it is necessary to develop other models such as kinetic, CFD or RNA for accurate gasification analysis.