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煤炭自燃是煤矿的主要灾害之一。不仅烧毁宝贵资源,还严重危害井下工作人员的安全与健康。CO_2气体灭火可以应用于矿井的防灭火工作。煤矿井下的气体是多种气体的混合物,煤对很多种气体具有吸附特性。运用量子化学理论高斯03软件包对二氧化碳气体在煤表面吸附时,甲烷气体对其吸附能力的影响进行研究。结果表明,当煤表面分别吸附1个和2个CO_2分子时,有1个CH_4分子存在会促进煤表面吸附CO_2分子。但当CO_2分子的个数大于2个时,有1个CH_4分子存在就会抑制煤表面吸附CO_2分子。因此,CH_4分子对煤表面吸附CO_2分子是有影响的。甲烷气体的含量能够影响煤对二氧化碳气体的吸附。
Coal spontaneous combustion is one of the major disasters in coal mines. Not only burned valuable resources, but also seriously endanger the safety and health of underground staff. CO_2 gas fire extinguishing can be applied to mine fire fighting work. Coal mine gas is a mixture of a variety of gases, coal adsorption of many gases. Using the Gaussian 03 software package of quantum chemistry theory, the influence of methane gas on the adsorption capacity of carbon dioxide on coal surface was studied. The results show that when one or two molecules of CO 2 are respectively adsorbed on the surface of coal, one CH 4 molecule can promote the adsorption of CO 2 on the coal surface. However, when the number of CO_2 molecules is more than two, the presence of one CH_4 molecule will inhibit the adsorption of CO_2 molecules on the coal surface. Therefore, CH 4 molecules on the coal surface adsorption of CO 2 molecules are influential. The content of methane gas can affect the coal adsorption of carbon dioxide gas.