| 二氧化碳/甲烷/氮气二元混合物在有序介孔碳材料CMK-3 中的吸附和分离 |
| |
| 引用本文： | 彭璇,张勤学,成璇,曹达鹏.二氧化碳/甲烷/氮气二元混合物在有序介孔碳材料CMK-3 中的吸附和分离[J].物理化学学报,2011,27(9):2065-2071. |
| |
| 作者姓名： | 彭璇 张勤学 成璇 曹达鹏 |
| |
| 作者单位： | 1. College of Information Science and Technology, Beijing University of Chemical Technology, Beijing 100029, P. R. China;
2. College of Science, Beijing University of Chemical Technology, Beijing 100029, P. R. China;
3. Division of Molecular and Materials Simulation, State Key Laboratory of Organic-Inorganic Composites,Beijing University of Chemical Technology, Beijing 100029, P. R. China |
| |
| 摘 要： | 采用分子模拟与吸附理论研究了天然气成分在有序介孔碳材料CMK-3上的吸附和分离.巨正则系综蒙特卡罗(GCMC)模拟表明,CH4和CO2气体的较优存储条件分别为208 K、4 MPa和298 K、6 MPa,其最大超额吸附量分别为10.07和14.85 mmol· g-1.基于双位Langmuir-Freundlich (DSLF)模型,使用理想吸附溶液理论(IAST)预测了不同二元混合物在CMK-3中的分离行为,发现吸附选择性Sco2/CH4与ScH4/N2比较接近,在298 K和4 MPa下约等于3,而N2-CO2体系中的CO2吸附选择性较高,可达到7.5,说明CMK-3是一种适合吸附和分离天然气组分的碳材料.
|
| 关 键 词： | 巨正则系综蒙特卡罗 吸附选择性 理想吸附溶液理论 甲烷 二氧化碳 氮气 CMK-3 |
| 收稿时间： | 2011-04-20 |
| 修稿时间： | 2011-07-12 |
Adsorption and Separation of CO2/CH4/N2 Binary Mixtures in an Ordered Mesoporous Carbon Material CMK-3 |
| |
| PENG Xuan,ZHANG Qin-Xue,CHENG Xuan,CAO Da-Peng.Adsorption and Separation of CO2/CH4/N2 Binary Mixtures in an Ordered Mesoporous Carbon Material CMK-3[J].Acta Physico-Chimica Sinica,2011,27(9):2065-2071. |
| |
| Authors: | PENG Xuan ZHANG Qin-Xue CHENG Xuan CAO Da-Peng |
| |
| Institution: | 1. College of Information Science and Technology, Beijing University of Chemical Technology, Beijing 100029, P. R. China;
2. College of Science, Beijing University of Chemical Technology, Beijing 100029, P. R. China;
3. Division of Molecular and Materials Simulation, State Key Laboratory of Organic-Inorganic Composites,Beijing University of Chemical Technology, Beijing 100029, P. R. China |
| |
| Abstract: | The adsorption and separation of natural gas in the ordered mesoporous carbon material CMK-3 was investigated by molecular simulation and adsorption theory. Grand canonical ensemble Monte Carlo (GCMC) simulations show that a maximum excess uptake of 10.07 and 14.85 mmol·g-1 is obtained at the optimum temperature and pressure of 208 K, 4 MPa for CH4 and 298 K, 6 MPa for CO2 adsorption, respectively. Based on the dual-site Langmuir-Freundlich (DSLF) model, ideal adsorption solution theory (IAST) was used to predict the adsorption and separation of binary mixtures. The adsorption selectivity of SCO2/CH4 is approximately the same as that of SCH4/N2, with a value of about 3 at 298 K and 4 MPa while the highest CO2 selectivity of 7.5 was found in the N2-CO2 system under the same conditions. This indicates that the CMK-3 material is a promising candidate for natural gas separation. |
| |
| Keywords: | Grand canonical ensemble Monte Carlo Adsorption selectivity Ideal adsorption solution theory Methane Carbon dioxide Nitrogen CMK-3 |
| 本文献已被 CNKI 万方数据 等数据库收录！ |
| 点击此处可从《物理化学学报》浏览原始摘要信息 |
| 点击此处可从《物理化学学报》下载免费的PDF全文 |
|
