一氧化碳气体对煤吸附二氧化碳气体的影响研究

Research on carbon monoxide gas to coal adsorption of carbon dioxide gas influence

CO_2是导致全球气候恶化的温室气体。控制CO_2的排放和对CO_2的有效封存是世界各国学者研究的热点。CO_2的地质埋存是一种极具前景的碳埋存技术。大量的煤岩采空区为CO_2的地质埋存提供了广阔的空间。运用量子化学理论高斯03软件包对CO_2、CO气体与煤特征结构的吸附能力影响进行研究。结果表明,煤特征结构易于与多个CO_2分子发生物理吸附。当煤特征结构分别吸附1个C02分子、2个C02分子和3个C02时,放入1个CO分子会促进煤特征结构吸附CO_2分子。但当煤特征结构吸附CO_2分子的个数大于3个时,放入1个CO分子会抑制煤特征结构吸附CO_2分子。

CO2 is a greenhouse gas caused global climate deterioration, hence controlling CO2 emission and seal has become a hot study of scholars around the world. CO2 geological burial is a promising technology of carbon seal. A large number of coal mine goaf provides a broad space for CO2 geological burial. The adsorptive of coal characteristics structures for CO2, CO has been studying with Quantum chemistry theory. All calculations are performed with the Gaussian03 program. Analysis showed that coal characteristics structures are prone to occurring physical adsorption with multiple CO2 molecules. When coal characteristics structures are adsorbing a CO2 molecule, two CO2 molecules, or three CO2 molecules respectively, a CO molecule will promote coal characteristics structures to adsorb CO2 molecules. If coal characteristics structures are adsorbing CO2 that contain at least three molecules while a CO molecule will inhibit coal characteristics structures to adsorb CO2 molecules.