This study investigated the hydro-liquefaction behaviors of cellulose, xylan and lignin in ethanol at various temperatures. The interactions between the reaction medium and individual biomass component under different temperatures were evaluated using the Monte Carlo method. The simulation results indicated that the compatibility from cellulose and xylan system was superior to that of lignin with the elevated temperature. The liquefaction characteristics of cellulose and xylan were highly affected by temperature variation due to the existence of active chemical region and functional groups in the structures. In comparison, the reaction behavior of lignin-containing complicated polyaromatic structure was slightly dependent on the elevated temperature. The variation trend of chemical structures from solid residues was highly related to the nature of the raw feedstock. The properties of bio-oil derived from liquefaction of single biomass composition were also associated with the inherent composition of each biomass subcomponent.

这项研究调查了纤维素，木聚糖和木质素在乙醇中在不同温度下的液化行为。使用蒙特卡洛方法评估了不同温度下反应介质与单个生物质组分之间的相互作用。仿真结果表明，随着温度的升高，纤维素和木聚糖体系的相容性优于木质素。由于结构中存在活性化学区域和官能团，温度变化对纤维素和木聚糖的液化特性影响很大。相比之下，含木质素的复杂多芳族结构的反应行为略微取决于高温。固体残留物化学结构的变化趋势与原料的性质高度相关。源自单一生物质组成物的液化的生物油的特性也与每个生物质子成分的固有组成有关。