当前位置：
X-MOL 学术
›
Faraday Discuss.
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Determining the composition of the vacuum–liquid interface in ionic-liquid mixtures
Faraday Discussions ( IF 3.3 ) Pub Date : 2017-06-14 00:00:00 , DOI: 10.1039/c7fd00175d E. J. Smoll 1, 2, 3, 4 , M. A. Tesa-Serrate 5, 6, 7, 8, 9 , S. M. Purcell 5, 6, 7, 8, 9 , L. D’Andrea 9, 10, 11, 12 , D. W. Bruce 9, 10, 11, 12 , J. M. Slattery 9, 10, 11, 12 , M. L. Costen 5, 6, 7, 8, 9 , T. K. Minton 1, 2, 3, 4 , K. G. McKendrick 5, 6, 7, 8, 9
Faraday Discussions ( IF 3.3 ) Pub Date : 2017-06-14 00:00:00 , DOI: 10.1039/c7fd00175d E. J. Smoll 1, 2, 3, 4 , M. A. Tesa-Serrate 5, 6, 7, 8, 9 , S. M. Purcell 5, 6, 7, 8, 9 , L. D’Andrea 9, 10, 11, 12 , D. W. Bruce 9, 10, 11, 12 , J. M. Slattery 9, 10, 11, 12 , M. L. Costen 5, 6, 7, 8, 9 , T. K. Minton 1, 2, 3, 4 , K. G. McKendrick 5, 6, 7, 8, 9
Affiliation
|
The vacuum–liquid interfaces of a number of ionic-liquid mixtures have been investigated using the combination of reactive-atom scattering with laser-induced fluorescence detection (RAS-LIF), selected surface tension measurements, and molecular dynamics (MD) simulations. The mixtures are based on the widespread 1-alkyl-3-methylimidazolium ([Cnmim]+) cation, including mixed cations which differ in chain length or chemical functionality with a common anion; and different anions for a common cation. RAS-LIF results imply that the surface compositions exhibit a general form of non-stoichiometric behaviour that mimics the well-known Henry’s and Raoult’s laws at low and high mole fraction, respectively. The extended Langmuir model provides a moderately good single-parameter fit, but higher-order terms are required for an accurate description. The quantitative relationship between RAS-LIF and surface tension, which probes the surface composition only indirectly, is explored for mixtures of [C2mim]+ and [C12mim]+ with a common bis(trifluoromethylsulfonyl)imide ([NTf2]−) anion. Extended Langmuir model fits to surface tension data are broadly consistent with those to RAS-LIF; however, several other common approaches to extracting surface compositions from measured surface tensions result in much larger discrepancies. MD simulations suggest that RAS-LIF faithfully reports on the alkyl-chain exposure at the surface, which is only subtly modified by composition-dependent structural reorganisation.
中文翻译：
确定离子-液体混合物中真空-液体界面的组成
使用反应性原子散射与激光诱导的荧光检测（RAS-LIF），选定的表面张力测量和分子动力学（MD）模拟相结合的方法，已经研究了许多离子-液体混合物的真空-液体界面。混合物基于广泛分布的1-烷基-3-甲基咪唑鎓（[C n mim] +）阳离子，包括链长或化学官能度与常见阴离子不同的混合阳离子；和不同的阴离子为一个普通的阳离子。RAS-LIF结果表明，表面成分表现出一种非化学计量行为的一般形式，可分别模拟低摩尔分数和高摩尔分数的众所周知的亨利定律和拉乌尔定律。扩展的Langmuir模型可提供中等程度的良好单参数拟合，但要获得准确的描述，需要使用高阶术语。研究了[C 2 mim] +和[C 12 mim] +与常见的双（三氟甲基磺酰基）酰亚胺（[NTf 2] -）阴离子。扩展的Langmuir模型对表面张力数据的拟合与RAS-LIF的广泛一致；但是，从测量的表面张力中提取表面成分的其他几种常见方法会导致更大的差异。MD模拟表明，RAS-LIF忠实地报告了表面上的烷基链暴露情况，该暴露仅通过依赖成分的结构重组进行了巧妙修饰。
更新日期：2017-12-15
中文翻译：
确定离子-液体混合物中真空-液体界面的组成
使用反应性原子散射与激光诱导的荧光检测（RAS-LIF），选定的表面张力测量和分子动力学（MD）模拟相结合的方法，已经研究了许多离子-液体混合物的真空-液体界面。混合物基于广泛分布的1-烷基-3-甲基咪唑鎓（[C n mim] +）阳离子，包括链长或化学官能度与常见阴离子不同的混合阳离子；和不同的阴离子为一个普通的阳离子。RAS-LIF结果表明，表面成分表现出一种非化学计量行为的一般形式，可分别模拟低摩尔分数和高摩尔分数的众所周知的亨利定律和拉乌尔定律。扩展的Langmuir模型可提供中等程度的良好单参数拟合，但要获得准确的描述，需要使用高阶术语。研究了[C 2 mim] +和[C 12 mim] +与常见的双（三氟甲基磺酰基）酰亚胺（[NTf 2] -）阴离子。扩展的Langmuir模型对表面张力数据的拟合与RAS-LIF的广泛一致；但是，从测量的表面张力中提取表面成分的其他几种常见方法会导致更大的差异。MD模拟表明，RAS-LIF忠实地报告了表面上的烷基链暴露情况，该暴露仅通过依赖成分的结构重组进行了巧妙修饰。
京公网安备 11010802027423号