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QSPR Study on the Viscosity of Ionic Liquids

Author: WenLu
Tutor: YuGuangRen
School: Beijing University of Chemical Technology
Course: Chemical Engineering and Technology
Keywords: Ionic liquids Viscosity QSPR
CLC: TQ413.2
Type: Master's thesis
Year: 2011
Downloads: 83
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Abstract


Ionic liquids (Ionic Liquids) is just the last ten years, a new and very different to the traditional organic solvents green solvents . The special properties of the ionic liquid so that it is applied to the separation, catalysis, electrochemistry , and functional materials such areas . Ionic liquids has become one of the most popular material in the green chemical process . However, as the key physical properties of the ionic liquid , viscosity hinder further development of the research applications . Therefore, for in-depth understanding of the viscosity of the ionic liquid is necessary, and the current research in this area is quite lacking . In this study, the Gauss software and CODESSA software , relational between viscosity and structure of the six types of ionic liquids , reveal the microscopic nature of the ionic liquid viscosity , has important guiding significance for the synthetic application of ionic liquids . The main work is as follows : on the intuitive understanding , including cation viscosity , the anion viscosity and temperature on the viscosity of the ionic liquid viscosity . 2 , selected from the database data , most of the ionic liquid in the atmospheric conditions , and classification . The ionic liquid viscosity data selection rules : the same temperature , water content , at least , Year recently . Ultimately were thirteen groups of six types of ionic liquid viscosity data . Thirteen viscosity data quantitative structure property relationship (QSPR) study , to get a better fitting model ( correlation coefficient R2 gt ; .8226 ) . Found that have the most important impact on the electrostatic interaction between the anion and cation and spatial structure of the ionic liquid viscosity . 4 QSPR results were compared with the results of this paper with traditional organic solvent viscosity . Hydrogen bonding interactions and structural properties of the organic solvent is the the viscosity most important influencing factors , its different , an important factor to affect the ionic liquid viscosity of the electrostatic interactions between the cation fixed ionic liquids , the structure of the anion and cation-anion ; For anionic fixed consider the electrostatic interaction between the cation and anion and cation structure should be more focus on the influence of viscosity of ionic liquids .

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CLC: > Industrial Technology > Chemical Industry > Production of solvents and plasticizers > Solvent > Organic solvents
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