Chinese Journal of Chemical Engineering, Vol.13, No.2, 197-203, 2005
Numerical approach to the mechanism of cellulose pyrolysis
A detailed :mechanism analysis of cellulose pyrolysis was carried out according to the previous experimental results. On the basis of the Brodio-Shafizadeh model, a modified two-stage model was proposed to simulate the formation and decomposition of active cellulose (AC) and several main organic compounds, such as levoglucosan (LG), hydroxyl-acetaldehyde (HAA), acetol and furfural etc. During pryolysis, the temperature rise of cellulose can be divided into three stages. In the second stage, cellulose undergoes a main decomposition process in which the reaction temperature remains rather low because of the endothermic cracking of glucosidic bond of AC during the formation of LG. The components density of bio-oil, including LG and other competitive compounds, increased rapidly with the increase of temperature during the first stage. However, in the main decomposition process, LG density in bio-oil had an obvious decrease, while the competitive products appeared to increase gradually, which means the ring-opening and reforming reaction of pyranoid ring are superior to LG formation in high temperature. The secondary reaction of volatile components occurs largely in gaseous phase rather than in the solid phase. Short residence time of volatile materials in high temperature region will be advantageous to a high production of LG, which may otherwise decompose quickly under high temperature. An optimum yield of LG could be obtained when radiant source temperature is in the range of 730-920 K and gas residence time is less than 1 s. In addition, the reaction temperature has a stronger effect than gas residence time on the formation of HAA, acetol, formaldehyde and furfural etc.