期刊文献+
共找到5篇文章
< 1 >
每页显示 20 50 100
硫醇吸附挥发性有机气体(VOCs)的气敏机理 被引量:1
1
作者 张海燕 李琦 +2 位作者 王梓臻 文豪 刘丹凤 《原子与分子物理学报》 CAS 北大核心 2025年第3期35-44,共10页
化学电阻气体传感器对于空气质量、食品检测和人体呼吸有着重要作用.传感器上修饰物硫醇与待测的VOCs之间吸附的气敏机理分析是选择硫醇、预测吸附能力与特异性的重要手段.本文选取了11-巯基-1-十一醇(MUD)和4-甲氧基苄硫醇(MTT)两种常... 化学电阻气体传感器对于空气质量、食品检测和人体呼吸有着重要作用.传感器上修饰物硫醇与待测的VOCs之间吸附的气敏机理分析是选择硫醇、预测吸附能力与特异性的重要手段.本文选取了11-巯基-1-十一醇(MUD)和4-甲氧基苄硫醇(MTT)两种常见的硫醇与六种典型的VOCs(乙醇ETN、异丙醇IPA、丙酮ACN、正己烷HXN、甲苯TLN、苯甲醛BND),基于密度泛函理论(DFT),计算其表面静电势(ESP)并建立气体吸附模型.在气体吸附模型的基础上计算其吸附能,并分析其弱相互作用,从微观角度解释气体吸附的作用机理.实验结果表明,具有羟基的MUD分子对同样有羟基的气体(如ETN、IPA)能够以氢键的方式吸附,具有较强的选择效果;具有苯环的MTT分子与具有苯环结构的气体分子(如TLN、BND)吸附时会在苯环之间形成π-π堆积,基于色散作用进行吸附,这表明MTT分子对具有苯环结构的气体有着较强的吸附作用.研究发现其色散作用吸附的强弱与分子的表面ESP绝对值有关.本文对于传感器表面修饰物吸附气体的气敏机理进行了探究,并对表面修饰物的选择和实验结果预测提供了理论指导. 展开更多
关键词 硫醇 VOCS DFT 表面静电势 气体吸附模型 弱相互作用分析
下载PDF
活性炭上CS_2与CO_2混合气体的吸附模型 被引量:9
2
作者 郭波 常丽萍 +1 位作者 李春虎 谢克昌 《煤炭转化》 CAS CSCD 北大核心 2006年第2期66-69,共4页
利用纯气体的等温吸附数据,研究了303K下CS2与CO2混合气体在活性炭上的等温吸附行为.采用两种混合气体模型方程即扩展的Langmuir修正式和Lewis关系式模拟混合气体的等温吸附,结果显示,分别以纯气体的Langmuir方程和D-R方程为基础的Langm... 利用纯气体的等温吸附数据,研究了303K下CS2与CO2混合气体在活性炭上的等温吸附行为.采用两种混合气体模型方程即扩展的Langmuir修正式和Lewis关系式模拟混合气体的等温吸附,结果显示,分别以纯气体的Langmuir方程和D-R方程为基础的Langmuir修正式和Lewis关系式均能较好地描述混合气体的等温吸附,且误差均小于±5%.混合气体中CS2的吸附量约为CO2吸附量的20倍.CS2与CO2混合气体在活性炭上的等温吸附以对CS2的吸附为主. 展开更多
关键词 活性炭 二硫化碳 二氧化碳 混合气体吸附模型
下载PDF
New method for prediction of shale gas content in continental shale formation using well logs 被引量:1
3
作者 李生杰 崔哲 +3 位作者 姜振学 邵雨 廖伟 李力 《Applied Geophysics》 SCIE CSCD 2016年第2期393-405,421,共14页
Shale needs to contain a sufficient amount of gas to make it viable for exploitation. The continental heterogeneous shale formation in the Yan-chang (YC) area is investigated by firstly measuring the shale gas conte... Shale needs to contain a sufficient amount of gas to make it viable for exploitation. The continental heterogeneous shale formation in the Yan-chang (YC) area is investigated by firstly measuring the shale gas content in a laboratory and then investigating use of a theoretical prediction model. Key factors controlling the shale gas content are determined, and a prediction model for free gas content is established according to the equation of gas state and a new petrophysical volume model. Application of the Langmuir volume constant and pressure constant obtained from results of adsorption isotherms is found to be limited because these constants are greatly affected by experimental temperature and pressures. Therefore, using measurements of adsorption isotherms and thermodynamic theory, the influence of temperature, total organic carbon (TOC), and mineralogy on Langmuir volume constants and pressure constants are investigated in detail. A prediction model for the Langmuir pressure constant with a correction of temperatures is then established, and a prediction model for the Langmuir volume constant with correction of temperature, TOC, and quartz contents is also proposed. Using these corrected Langmuir constants, application of the Langmuir model determined using experimental adsorption isotherms is extrapolated to reservoir temperature, pressure, and lithological conditions, and a method for the prediction of shale gas content using well logs is established. Finally, this method is successfully applied to predict the shale gas content of the continental shale formation in the YC area, and practical application is shown to deliver good results with high precision. 展开更多
关键词 free gas adsorbed gas petrophysical volume model Langmuir model adsorption isotherms
下载PDF
A Modified Peng-Robinson Equation State for Prediction of Gas Adsorption Isotherm 被引量:2
4
作者 Ali Akbar Amooey 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2014年第6期628-633,共6页
This research proposes a modified two-dimensional Peng-Robinson equation model to predict adsorption isotherm in adsorbate-adsorbent systems. The parameters of the proposed model are calculated by using the optimizati... This research proposes a modified two-dimensional Peng-Robinson equation model to predict adsorption isotherm in adsorbate-adsorbent systems. The parameters of the proposed model are calculated by using the optimization of experimental data for the different single gas adsorption systems at various temperatures. The experimental adsorption equilibrium data of adsorbate-adsorbent systems was compared with the calculated results in our proposed model and the two-dimensional Hill-deBoer equation model. The proposed model as indicated in the results shows a better prediction of the experimental results compared with two others. 展开更多
关键词 gas adsorption isotherm Peng-Robinson equation state
下载PDF
Graphene as Gas Sensors
5
作者 Hamze Mousavi 《Communications in Theoretical Physics》 SCIE CAS CSCD 2011年第8期373-376,共4页
The triatomic and tetratomic gas molecule adsorption effects on the electrical conductivity of graphene areinvestigated by the tight-binding model,Green’s function method,and coherent potential approximation.We find ... The triatomic and tetratomic gas molecule adsorption effects on the electrical conductivity of graphene areinvestigated by the tight-binding model,Green’s function method,and coherent potential approximation.We find thatthe electrical conductivity of graphene sheet is sensitive to the adsorption of these gases. 展开更多
关键词 GRAPHENE gas adsorption electrical conductivity coherent potential approximation
下载PDF
上一页 1 下一页 到第
使用帮助 返回顶部