The effect of a three-stage carbonization and activation process on the properties of a bamboo charcoal (BC), prepared from the 4- to 6-year-old Moso bamboo (Phyllostachys pubescens) planted in the Jhu-Shan of Nantou, Taiwan, was investigated. A process simulation, based on first principles thermodynamics, was conducted using a thermochemistry software package (FactSage). Our model not only reproduced the key experiments well, but also provided a detailed chemical reaction mechanism of the carbonization process involving multiple solids and multi-component gas phases. Three-stage process proposed herein consisted of first-stage carbonization process to prepare BC, second-stage activation process to activate BC, and third-stage activation process to refine activated BC. Measured changes in pH values of the BC were explained based on the chemistry of the gas products, and, accordingly, a theoretical maximum pH value for the BC was proposed. Furthermore, material properties like charcoal yield, ash content, pH level, elemental compositions, Brunauer-Emmett-Teller (BET) specific surface area, morphology, and Fourier transform infrared spectrum were measured. Interestingly, the observed maximum BET specific surface area (493.0 m(2) g(-1)) of refined BC obtained through the above three-stage process was more than 2000 times larger than that of the sample fabricated at 400 degrees C in the first-stage carbonization process (0.2 m(2) g(-1)), and this once again demonstrated the importance of process optimization. Our multi-stage process and new chemical reaction mechanism can be used to speed up the technology development of a general carbonization for a variety of bio-resources. (C) 2014 Elsevier B.V. All rights reserved.