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首页> 外文期刊>American Journal of Analytical Chemistry >Experimental Investigation and Modeling of Activity Coefficient at Infinite Dilution of Solutes Using Dicationic Solvent Based on Pyrrolidinium as a New Stationary Phase in Gas Chromatography
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Experimental Investigation and Modeling of Activity Coefficient at Infinite Dilution of Solutes Using Dicationic Solvent Based on Pyrrolidinium as a New Stationary Phase in Gas Chromatography

机译:基于吡咯烷鎓的阳离子溶剂作为气相色谱新固定相的溶质在无限稀释溶液中活度系数的实验研究和建模

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Activity coefficients at infinite dilution, γ ∞ i, were calculated for 12 solutes, with organic solutes including linear alcohols (methanol, ethanol, propanol), linear alkanes (heptane, octane), benzene, toluene, cyclohexane, 1, 2-dichloroethane, trichloroethylene, acetonitrile and carbon tetrachloride. The values of γ ∞ i were determined via either thermodynamic or artificial neural network modelling at different temperatures. A comparison between extracted results from these two methods confirmed that experimental and predicted results are roughly the same. The accuracy of predicted results proves this model is fully compatible with a wide range of solutes, and it can readily be used as an alternative to conventional gas-liquid chromatography for the measurements of activity coefficient at infinite dilution.
机译:计算了12种溶质的无限稀释活度系数γ∞i ,有机溶质包括直链醇(甲醇,乙醇,丙醇),直链烷烃(庚烷,辛烷),苯,甲苯,环己烷,1、2-二氯乙烷,三氯乙烯,乙腈和四氯化碳。通过热力学或人工神经网络模型在不同温度下确定γ∞i 的值。通过对这两种方法的提取结果进行比较,可以确认实验结果和预测结果大致相同。预测结果的准确性证明该模型与各种溶质完全兼容,并且可以轻松替代常规气液色谱法,用于无限稀释下的活度系数测量。

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