氯化铝和1 -丁基- 3 -甲基咪唑氯离子液体电解质的电导率和种类分布

IF 1.9 4区化学 Q2 CHEMISTRY, ORGANIC Journal of Physical Organic Chemistry Pub Date : 2023-06-07 DOI:10.1002/poc.4549

Md Khalid Nahian, Ramana G. Reddy

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Electrical conductivity increases with \n<math>\n <msub>\n <mi>X</mi>\n <mrow>\n <mi>AlC</mi>\n <msub>\n <mi>l</mi>\n <mn>3</mn>\n </msub>\n </mrow>\n </msub></math> from 0 to 0.5 and then starts to decrease after \n<math>\n <msub>\n <mi>X</mi>\n <mrow>\n <mi>AlC</mi>\n <msub>\n <mi>l</mi>\n <mn>3</mn>\n </msub>\n </mrow>\n </msub></math> = 0.5. A species concentration profile was developed based on thermodynamic model at room temperature for the IL containing \n<math>\n <msup>\n <mi>BMI</mi>\n <mo>+</mo>\n </msup></math>, \n<math>\n <msup>\n <mi>Cl</mi>\n <mo>−</mo>\n </msup></math>, \n<math>\n <mi>AlC</mi>\n <msubsup>\n <mi>l</mi>\n <mn>4</mn>\n <mo>−</mo>\n </msubsup></math>, \n<math>\n <mi>A</mi>\n <msub>\n <mi>l</mi>\n <mn>2</mn>\n </msub>\n <mi>C</mi>\n <msubsup>\n <mi>l</mi>\n <mn>7</mn>\n <mo>−</mo>\n </msubsup></math>, \n<math>\n <mi>A</mi>\n <msub>\n <mi>l</mi>\n <mn>3</mn>\n </msub>\n <mi>C</mi>\n <msubsup>\n <mi>l</mi>\n <mn>10</mn>\n <mo>−</mo>\n </msubsup></math>, \n<math>\n <mi>A</mi>\n <msub>\n <mi>l</mi>\n <mn>4</mn>\n </msub>\n <mi>C</mi>\n <msubsup>\n <mi>l</mi>\n <mn>13</mn>\n <mo>−</mo>\n </msubsup></math>, and \n<math>\n <mi>A</mi>\n <msub>\n <mi>l</mi>\n <mn>2</mn>\n </msub>\n <mi>C</mi>\n <msub>\n <mi>l</mi>\n <mn>6</mn>\n </msub></math> at different \n<math>\n <msub>\n <mi>X</mi>\n <mrow>\n <mi>AlC</mi>\n <msub>\n <mi>l</mi>\n <mn>3</mn>\n </msub>\n </mrow>\n </msub></math>. The only anion species presents between 0 and 0.5 \n<math>\n <msub>\n <mi>X</mi>\n <mrow>\n <mi>AlC</mi>\n <msub>\n <mi>l</mi>\n <mn>3</mn>\n </msub>\n </mrow>\n </msub></math> are \n<math>\n <msup>\n <mi>Cl</mi>\n <mo>−</mo>\n </msup></math> and \n<math>\n <mi>AlC</mi>\n <msubsup>\n <mi>l</mi>\n <mn>4</mn>\n <mo>−</mo>\n </msubsup></math>. Anions like \n<math>\n <mi>A</mi>\n <msub>\n <mi>l</mi>\n <mn>2</mn>\n </msub>\n <mi>C</mi>\n <msubsup>\n <mi>l</mi>\n <mn>7</mn>\n <mo>−</mo>\n </msubsup></math>, \n<math>\n <mi>A</mi>\n <msub>\n <mi>l</mi>\n <mn>3</mn>\n </msub>\n <mi>C</mi>\n <msubsup>\n <mi>l</mi>\n <mn>10</mn>\n <mo>−</mo>\n </msubsup></math>, \n<math>\n <mi>A</mi>\n <msub>\n <mi>l</mi>\n <mn>4</mn>\n </msub>\n <mi>C</mi>\n <msubsup>\n <mi>l</mi>\n <mn>13</mn>\n <mo>−</mo>\n </msubsup></math>, and \n<math>\n <mi>A</mi>\n <msub>\n <mi>l</mi>\n <mn>2</mn>\n </msub>\n <mi>C</mi>\n <msub>\n <mi>l</mi>\n <mn>6</mn>\n </msub></math> are found at higher \n<math>\n <msub>\n <mi>X</mi>\n <mrow>\n <mi>AlC</mi>\n <msub>\n <mi>l</mi>\n <mn>3</mn>\n </msub>\n </mrow>\n </msub></math>. A good agreement between the model and the experimental data was obtained. The variations in anion concentration, molecular structure, and cation–anion interactions are to be the causes of the changes in electrical conductivity of AlCl3:BMIC system.","PeriodicalId":16829,"journal":{"name":"Journal of Physical Organic Chemistry","volume":"36 10","pages":""},"PeriodicalIF":1.9000,"publicationDate":"2023-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Electrical conductivity and species distribution of aluminum chloride and 1-butyl-3-methylimidazolium chloride ionic liquid electrolytes\",\"authors\":\"Md Khalid Nahian, Ramana G. 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Electrical conductivity increases with \\n<math>\\n <msub>\\n <mi>X</mi>\\n <mrow>\\n <mi>AlC</mi>\\n <msub>\\n <mi>l</mi>\\n <mn>3</mn>\\n </msub>\\n </mrow>\\n </msub></math> from 0 to 0.5 and then starts to decrease after \\n<math>\\n <msub>\\n <mi>X</mi>\\n <mrow>\\n <mi>AlC</mi>\\n <msub>\\n <mi>l</mi>\\n <mn>3</mn>\\n </msub>\\n </mrow>\\n </msub></math> = 0.5. A species concentration profile was developed based on thermodynamic model at room temperature for the IL containing \\n<math>\\n <msup>\\n <mi>BMI</mi>\\n <mo>+</mo>\\n </msup></math>, \\n<math>\\n <msup>\\n <mi>Cl</mi>\\n <mo>−</mo>\\n </msup></math>, \\n<math>\\n <mi>AlC</mi>\\n <msubsup>\\n <mi>l</mi>\\n <mn>4</mn>\\n <mo>−</mo>\\n </msubsup></math>, \\n<math>\\n <mi>A</mi>\\n <msub>\\n <mi>l</mi>\\n <mn>2</mn>\\n </msub>\\n <mi>C</mi>\\n <msubsup>\\n <mi>l</mi>\\n <mn>7</mn>\\n <mo>−</mo>\\n </msubsup></math>, \\n<math>\\n <mi>A</mi>\\n <msub>\\n <mi>l</mi>\\n <mn>3</mn>\\n </msub>\\n <mi>C</mi>\\n <msubsup>\\n <mi>l</mi>\\n <mn>10</mn>\\n <mo>−</mo>\\n </msubsup></math>, \\n<math>\\n <mi>A</mi>\\n <msub>\\n <mi>l</mi>\\n <mn>4</mn>\\n </msub>\\n <mi>C</mi>\\n <msubsup>\\n <mi>l</mi>\\n <mn>13</mn>\\n <mo>−</mo>\\n </msubsup></math>, and \\n<math>\\n <mi>A</mi>\\n <msub>\\n <mi>l</mi>\\n <mn>2</mn>\\n </msub>\\n <mi>C</mi>\\n <msub>\\n <mi>l</mi>\\n <mn>6</mn>\\n </msub></math> at different \\n<math>\\n <msub>\\n <mi>X</mi>\\n <mrow>\\n <mi>AlC</mi>\\n <msub>\\n <mi>l</mi>\\n <mn>3</mn>\\n </msub>\\n </mrow>\\n </msub></math>. The only anion species presents between 0 and 0.5 \\n<math>\\n <msub>\\n <mi>X</mi>\\n <mrow>\\n <mi>AlC</mi>\\n <msub>\\n <mi>l</mi>\\n <mn>3</mn>\\n </msub>\\n </mrow>\\n </msub></math> are \\n<math>\\n <msup>\\n <mi>Cl</mi>\\n <mo>−</mo>\\n </msup></math> and \\n<math>\\n <mi>AlC</mi>\\n <msubsup>\\n <mi>l</mi>\\n <mn>4</mn>\\n <mo>−</mo>\\n </msubsup></math>. Anions like \\n<math>\\n <mi>A</mi>\\n <msub>\\n <mi>l</mi>\\n <mn>2</mn>\\n </msub>\\n <mi>C</mi>\\n <msubsup>\\n <mi>l</mi>\\n <mn>7</mn>\\n <mo>−</mo>\\n </msubsup></math>, \\n<math>\\n <mi>A</mi>\\n <msub>\\n <mi>l</mi>\\n <mn>3</mn>\\n </msub>\\n <mi>C</mi>\\n <msubsup>\\n <mi>l</mi>\\n <mn>10</mn>\\n <mo>−</mo>\\n </msubsup></math>, \\n<math>\\n <mi>A</mi>\\n <msub>\\n <mi>l</mi>\\n <mn>4</mn>\\n </msub>\\n <mi>C</mi>\\n <msubsup>\\n <mi>l</mi>\\n <mn>13</mn>\\n <mo>−</mo>\\n </msubsup></math>, and \\n<math>\\n <mi>A</mi>\\n <msub>\\n <mi>l</mi>\\n <mn>2</mn>\\n </msub>\\n <mi>C</mi>\\n <msub>\\n <mi>l</mi>\\n <mn>6</mn>\\n </msub></math> are found at higher \\n<math>\\n <msub>\\n <mi>X</mi>\\n <mrow>\\n <mi>AlC</mi>\\n <msub>\\n <mi>l</mi>\\n <mn>3</mn>\\n </msub>\\n </mrow>\\n </msub></math>. A good agreement between the model and the experimental data was obtained. 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引用次数: 1

摘要

研究了氯化铝(AlCl3)和1-丁基-3-甲基咪唑氯(BMIC)离子液体(IL)的电导率(σ)随温度和AlCl3摩尔分数(X AlCl3)的变化规律。采用电化学阻抗谱法测定其电导率。AlCl3:BMIC离子液体的组成随着X AlCl3从0到0.67的变化而变化。温度以10°C的间隔从70°C变为110°C。我们发现电导率随温度的升高而增加。电导率随X alc_3从0 ~ 0.5增大，在X alc_3 = 0.5后开始减小。基于热力学模型，建立了含BMI +、Cl−、alc4−、a2c7−、a1c110−，a1c113−，和a2c16在不同的X alc13。存在于0 ~ 0.5 X alc13之间的阴离子只有Cl -和alc4 -。阴离子如a1c17−，a1c110−，a1c113−，和a2c16在较高的X alc13中发现。模型与实验数据吻合较好。阴离子浓度、分子结构和正阴离子相互作用的变化是引起AlCl3:BMIC体系电导率变化的原因。

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Electrical conductivity and species distribution of aluminum chloride and 1-butyl-3-methylimidazolium chloride ionic liquid electrolytes

Electrical conductivity (σ) of aluminum chloride (AlCl₃) and 1-butyl-3-methylimidazolium chloride (BMIC) ionic liquid (IL) was investigated as a function of temperature and AlCl₃ mole fraction ( $X_{AlC l_{3}}$ ). Electrochemical impedance spectroscopy was used to measure the electrical conductivity. Composition of AlCl₃:BMIC ionic liquid was varied by changing the $X_{AlC l_{3}}$ from 0 to 0.67. The temperature was changed from 70°C to 110°C at 10°C intervals. It was found that the electrical conductivity increases with an increase in temperature. Electrical conductivity increases with $X_{AlC l_{3}}$ from 0 to 0.5 and then starts to decrease after $X_{AlC l_{3}}$ = 0.5. A species concentration profile was developed based on thermodynamic model at room temperature for the IL containing ${BMI}^{+}$ , ${Cl}^{-}$ , $AlC l_{4}^{-}$ , $A l_{2} C l_{7}^{-}$ , $A l_{3} C l_{10}^{-}$ , $A l_{4} C l_{13}^{-}$ , and $A l_{2} C l_{6}$ at different $X_{AlC l_{3}}$ . The only anion species presents between 0 and 0.5 $X_{AlC l_{3}}$ are ${Cl}^{-}$ and $AlC l_{4}^{-}$ . Anions like $A l_{2} C l_{7}^{-}$ , $A l_{3} C l_{10}^{-}$ , $A l_{4} C l_{13}^{-}$ , and $A l_{2} C l_{6}$ are found at higher $X_{AlC l_{3}}$ . A good agreement between the model and the experimental data was obtained. The variations in anion concentration, molecular structure, and cation–anion interactions are to be the causes of the changes in electrical conductivity of AlCl₃:BMIC system.

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来源期刊

Journal of Physical Organic Chemistry 化学-物理化学

CiteScore

3.60

自引率

11.10%

发文量

161

审稿时长

2.3 months

期刊介绍： The Journal of Physical Organic Chemistry is the foremost international journal devoted to the relationship between molecular structure and chemical reactivity in organic systems. It publishes Research Articles, Reviews and Mini Reviews based on research striving to understand the principles governing chemical structures in relation to activity and transformation with physical and mathematical rigor, using results derived from experimental and computational methods. Physical Organic Chemistry is a central and fundamental field with multiple applications in fields such as molecular recognition, supramolecular chemistry, catalysis, photochemistry, biological and material sciences, nanotechnology and surface science.

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