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Effect of Humidity on the Mobilities of Small Ions in Ion Mobility Spectrometry
Analytical Chemistry ( IF 6.7 ) Pub Date : 2023-05-23 , DOI: 10.1021/acs.analchem.3c00435 Izabela Wolańska 1 , Krzysztof Piwowarski 1 , Edyta Budzyńska 1 , Jarosław Puton 1
Analytical Chemistry ( IF 6.7 ) Pub Date : 2023-05-23 , DOI: 10.1021/acs.analchem.3c00435 Izabela Wolańska 1 , Krzysztof Piwowarski 1 , Edyta Budzyńska 1 , Jarosław Puton 1
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Ions in the ion mobility spectrometry (IMS) are mostly hydrated. A single peak in the drift time spectrum is usually generated by a mixture of ions differing in the number of attached water molecules. Under real IMS detector operating conditions, ions change their composition during movement in the drift region due to the changes in the number of water molecules attached to the ion. The impact of water vapor on the drift times of small ions at different temperatures was studied experimentally using an ion mobility spectrometer. The experiments were carried out for hydronium, ammonium, oxygen, chloride, bromide, and iodide ions. A theoretical model was developed, allowing us to calculate the effective mobility of ions for a given concentration of water vapor and temperature. The basic assumption adopted in this model was the linear dependence of the effective mobility coefficient on the mobility of ions with a certain degree of hydration. The weighting factors in this relationship are the abundances of individual types of ions. These parameters were determined by calculations based on the thermodynamics of the formation and disintegration of ionic clusters. From the known values of temperature, pressure, and humidity, the values of effective mobilities can be predicted quite accurately. The dependencies of reduced mobilities on the average degree of hydration were also determined. For these dependencies, the measurement points on the graphs are gathered along specific lines. This means that the average degree of hydration unambiguously determines the value of reduced mobility for a given type of ions.
中文翻译：
离子淌度谱中湿度对小离子淌度的影响
离子迁移谱 (IMS) 中的离子大部分是水合的。漂移时间谱中的单峰通常是由附着的水分子数量不同的离子混合物产生的。在真实的 IMS 检测器操作条件下，由于附着在离子上的水分子数量的变化，离子在漂移区域移动期间会改变其组成。使用离子迁移谱仪通过实验研究了不同温度下水蒸气对小离子漂移时间的影响。实验针对水合氢离子、铵离子、氧离子、氯离子、溴离子和碘离子进行。开发了一个理论模型，使我们能够计算给定水蒸气浓度和温度下离子的有效迁移率。该模型采用的基本假设是有效迁移率系数与具有一定水合度的离子迁移率的线性相关性。这种关系中的权重因子是各种离子类型的丰度。这些参数是通过基于离子簇形成和分解的热力学的计算来确定的。根据已知的温度、压力和湿度值，可以相当准确地预测有效迁移率的值。还确定了流动性降低对平均水合程度的依赖性。对于这些依赖性，图表上的测量点沿着特定的线聚集。这意味着平均水合度明确地确定了给定类型离子的降低迁移率的值。
更新日期：2023-05-23
中文翻译：
离子淌度谱中湿度对小离子淌度的影响
离子迁移谱 (IMS) 中的离子大部分是水合的。漂移时间谱中的单峰通常是由附着的水分子数量不同的离子混合物产生的。在真实的 IMS 检测器操作条件下，由于附着在离子上的水分子数量的变化，离子在漂移区域移动期间会改变其组成。使用离子迁移谱仪通过实验研究了不同温度下水蒸气对小离子漂移时间的影响。实验针对水合氢离子、铵离子、氧离子、氯离子、溴离子和碘离子进行。开发了一个理论模型，使我们能够计算给定水蒸气浓度和温度下离子的有效迁移率。该模型采用的基本假设是有效迁移率系数与具有一定水合度的离子迁移率的线性相关性。这种关系中的权重因子是各种离子类型的丰度。这些参数是通过基于离子簇形成和分解的热力学的计算来确定的。根据已知的温度、压力和湿度值，可以相当准确地预测有效迁移率的值。还确定了流动性降低对平均水合程度的依赖性。对于这些依赖性，图表上的测量点沿着特定的线聚集。这意味着平均水合度明确地确定了给定类型离子的降低迁移率的值。
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