Prediction of the binary surface tension of mixtures containing ionic liquids using Support Vector Machine algorithms

被引:52
|
作者
Hashemkhani, Mohammad [1 ]
Soleimani, Reza [2 ]
Fazeli, Hossein [3 ]
Lee, Moonyong [4 ]
Bahadori, Alireza [5 ]
Tavalaeian, Mahsa [6 ]
机构
[1] PUT, Ahwaz Fac Petr Engn, Ahvaz, Iran
[2] Islamic Azad Univ, Neyshabur Branch, Young Researchers & Elite Club, Neyshabur, Iran
[3] Univ Oslo, Dept Geosci, Oslo, Norway
[4] Yeungnam Univ, Sch Chem Engn, Gyeungsan, South Korea
[5] So Cross Univ, Sch Environm Sci & Engn, Lismore, NSW 2480, Australia
[6] Univ Zanjan, Dept Phys, Zanjan, Iran
关键词
Ionic liquids; Surface tension; Binary mixtures; Prediction; Support Vector Machine; ARTIFICIAL NEURAL-NETWORK; AQUEOUS BIPHASIC SYSTEMS; CARBON-DIOXIDE; THERMOPHYSICAL PROPERTIES; THERMODYNAMIC PROPERTIES; ELECTRICAL-CONDUCTIVITY; PHASE-EQUILIBRIUM; TERNARY MIXTURES; HEURISTIC METHOD; H2S SOLUBILITY;
D O I
10.1016/j.molliq.2015.07.038
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The surface tension of pure ionic liquids (ILs) and their mixtures with other compounds play a key role in the design and development of many industrial processes. Therefore, its modeling is extremely important from an industrial point of view. This study examined the capability and feasibility of three intelligence algorithms for predicting the surface tension of binary systems containing ILs. To construct and test the models, 748 data points corresponding to the experimental surface tension values of binary mixtures containing ILs were extracted from the literature. The surface tension was between 0.0157 and 0.07185 N . m(-1). The absolute temperature (T), mole fraction and molecular weight of the IL components (x(IL) and Mw(IL)) and the density of the IL components (rho(IL)) together with the boiling point (Tbnon-IL) and molecular weight (Mw(non-IL)) of the non-IL component were considered as model input variables to differentiate between the various compounds involved in binary systems. A comparison of the experimental data and predicted values using all three methods (in terms of statistical parameters) showed good agreement; however, the CSA-LSSVM prediction was better than the other two approaches. (C) 2015 Elsevier B.V. All rights reserved.
引用
收藏
页码:534 / 552
页数:19
相关论文
共 50 条
  • [1] Machine learning approach for the prediction of surface tension of binary mixtures containing ionic liquids using σ-profile descriptors
    Benmouloud, Widad
    Si-Moussa, Cherif
    Benkortbi, Othmane
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2023, 123 (03)
  • [2] A simple correlation to predict surface tension of binary mixtures containing ionic liquids
    Esmaeili, Hadi
    Hashemipour, Hassan
    JOURNAL OF MOLECULAR LIQUIDS, 2021, 324
  • [3] Toward an intelligent approach for predicting surface tension of binary mixtures containing ionic liquids
    Soleimani, Reza
    Dehaghani, Amir Hossein Saeedi
    Shoushtari, Navid Alavi
    Yaghoubi, Pedram
    Bahadori, Alireza
    KOREAN JOURNAL OF CHEMICAL ENGINEERING, 2018, 35 (07) : 1556 - 1569
  • [4] Toward an intelligent approach for predicting surface tension of binary mixtures containing ionic liquids
    Reza Soleimani
    Amir Hossein Saeedi Dehaghani
    Navid Alavi Shoushtari
    Pedram Yaghoubi
    Alireza Bahadori
    Korean Journal of Chemical Engineering, 2018, 35 : 1556 - 1569
  • [5] Prediction of surface tension of the binary mixtures containing ionic liquid using heuristic approaches; an input parameters investigation
    Shojaeian, Abolfazl
    Asadizadeh, Mostafa
    JOURNAL OF MOLECULAR LIQUIDS, 2020, 298 (298)
  • [6] Surface tension of binary mixtures containing environmentally friendly ionic liquids: Insights from artificial intelligence
    Roy Setiawan
    Reza Daneshfar
    Omid Rezvanjou
    Siavash Ashoori
    Maryam Naseri
    Environment, Development and Sustainability, 2021, 23 : 17606 - 17627
  • [7] Surface tension of binary mixtures containing environmentally friendly ionic liquids: Insights from artificial intelligence
    Setiawan, Roy
    Daneshfa, Reza
    Rezvanjou, Omid
    Ashoori, Siavash
    Naseri, Maryam
    ENVIRONMENT DEVELOPMENT AND SUSTAINABILITY, 2021, 23 (12) : 17606 - 17627
  • [8] Prediction of ionic conductivity of imidazolium-based ionic liquids at different temperatures using multiple linear regression and support vector machine algorithms
    Koi, Zi Kang
    Yahya, Wan Zaireen Nisa
    Kurnia, Kiki Adi
    NEW JOURNAL OF CHEMISTRY, 2021, 45 (39) : 18584 - 18597
  • [9] A support vector machine analysis to predict density of mixtures of methanol and six ionic liquids
    Amir Golparvar
    Alireza Bahreini
    Abouzar Choubineh
    David A. Wood
    Monatshefte für Chemie - Chemical Monthly, 2018, 149 : 2145 - 2152
  • [10] Mixing Enthalpy for Binary Mixtures Containing Ionic Liquids
    Podgoesek, A.
    Jacquemin, J.
    Padua, A. A. H.
    Gomes, M. F. Costa
    CHEMICAL REVIEWS, 2016, 116 (10) : 6075 - 6106