Mathematical models have been widely used to simulate all aspects of bioenergy production systems including the growth kinetics of energy crops, conversion processes, production economics, supply logistics and environmental impacts. There is limited commercial experience to produce and process energy crops at a large scale around the world. Those models can provide powerful tools to design a bioenergy system and evaluate its technical feasibility, economics and environmental impacts. A crop growth model can be used to estimate the yields of energy crops in a region under different growth conditions. A geographical information system (GIS) model can be used to maximize the energy production of energy crops by indentifying suitable land to grow them based on their specific characteristics and the current use of the land. A combination of process models and reaction kinetics provides advanced computational tools for the design