巨正则系综蒙特卡罗法研究异丙醇在活性炭上的吸附特性

Studies on the absorption properties of isopropyl alcohol on activated carbon by Grand Canonnical Monte Carlo Simulation

采用巨正则系综蒙特卡罗模拟方法研究活性炭狭孔对异丙醇的吸附行为。分别从压强、活性炭狭缝宽度、温度三个方面考察了对吸附的影响。模拟结果表明对于活性炭吸附异丙醇体系,炭狭缝孔模型能可靠地描述其吸附情况,在压强为1KPA时,炭狭缝孔宽度为1．7NM时吸附量较高;而当压强在2-4 KPA时,则孔宽为2NM时吸附量较高;若压强在4-10KPA变化时,则孔宽为 2．5NM时吸附量较高。加热解吸回收异丙醇和活性炭的最佳温度应为140℃左右。

The effect of pressure, temperature, microporous size of activated carbon on adsorption process of isopropyl alcohol on activated carbon was studied by Grand Canonical Monte Carlo Simulation. The result shows that the adsorption process can be described reliably by the activated carbon microporous model. When the pressure is 1 kPa, the adsorption quantity of activated carbon with microporous size of 1.7nm is higher. While activated carbon with microporous size of 2. 0nm has higher adsorption quantity when the pressure is 2 - 4kPa. At the pressure of 4 10kPa, the adsorption quantity of activated cad）on with microporous size of 2. 5nm is higher. The adsorption quantity of the system which jaws width of activity carbon is 2. 5nm is higher. The best recovery temperature of isopropyl alcohol desorbed from activated carbon is 140℃.