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Prediction of ionic liquids viscosity at variable temperatures and pressures

机译:可变温度和压力下离子液体粘度的预测

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摘要

The viscosity of ionic liquids (ILs) plays an important role in the chemical industry, material science and environmental science. This work presents a temperature- and pressure-dependent (eta-T-P) model based on the norm indices for describing the viscosity of ILs. While the parameters for the temperature and pressure dependence of the viscosity have been generally set as constants in previous work, they are adjusted based on the molecular structures in the eta-T-P model. Because ILs consist of only cations and anions, the norm indices are derived from cations and anions, respectively. However, the close connection between the interaction of the cations and anions and IL viscosity cannot be neglected; therefore, another set of norms is further deduced to represent the cation-anion interaction. The eta-T-P model is developed using 349 ILs (3228 data points) in the temperature range of 253.15-573.00 K and the pressure range of 0.06-300.00 MPa. Consequently, a eta-T-P model is derived with convincing results, as evaluated by the following statistical parameters: the squared correlation coefficient (R-2), Fisher significance (F) and the overall average absolute relative deviation (AARD), which are 0.964, 1809 and 4.62%, respectively. (C) 2018 Elsevier Ltd. All rights reserved.
机译:离子液体(ILS)的粘度在化学工业,物质科学和环境科学中起着重要作用。该工作介绍了基于用于描述ILS粘度的规范索引的温度和压力依赖性(ETA-T-P)模型。虽然粘度的温度和压力依赖性的参数通常被设定为先前的工作中的常数,而它们是基于ETA-T-P型号的分子结构进行调整的。由于ILS仅由阳离子和阴离子组成,因此标准指数分别来自阳离子和阴离子。然而,阳离子和阴离子和阴离子和IL粘度之间的相互作用之间的紧密连接不能被忽略;因此,进一步推导出另一组规范来表示阳离子阴离子相互作用。使用349 ILS(3228个数据点)在253.15-573.00 k和0.06-300.00MPa的压力范围内开发ETA-T-P型号。因此,通过令人信服的结果来推导ETA-TP模型,如下面的统计参数评估:平方相关系数(R-2),Fisher意义(F)和整个平均值绝对相对偏差(AARD),为0.964分别为1809和4.62%。 (c)2018年elestvier有限公司保留所有权利。

著录项

  • 来源
    《Chemical Engineering Science》 |2018年第2018期|共7页
  • 作者单位

    Tianjin Univ Sci &

    Technol Sch Chem Engn &

    Mat Sci TEDA 13St 29 Tianjin 300457 Peoples R China;

    Tianjin Univ Sci &

    Technol Sch Chem Engn &

    Mat Sci TEDA 13St 29 Tianjin 300457 Peoples R China;

    Tianjin Univ Sci &

    Technol Sch Marine &

    Environm Sci TEDA 13St 29 Tianjin 300457 Peoples R China;

    Tianjin Univ Sci &

    Technol Sch Chem Engn &

    Mat Sci TEDA 13St 29 Tianjin 300457 Peoples R China;

    Tianjin Univ Sch Chem Engn &

    Technol Weijin St 92 Tianjin 300072 Peoples R China;

    Tianjin Univ Sch Chem Engn &

    Technol Weijin St 92 Tianjin 300072 Peoples R China;

  • 收录信息
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 化学工业;
  • 关键词

    Viscosity; Ionic liquid; Norm indices; QSPR;

    机译:粘度;离子液体;规范指数;QSPR;

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