INVESTIGATION ON VOLUMETRIC PROPERTIES OF 1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE IONIC LIQUID, ACETONITRILE, AND THEIR MIXTURE USING MOLECULAR DYNAMICS SIMULATION

Q: How can I download an article?

To download an article from SID, first log in to the site, search for the article title, and click on the 'Download Article' option.

Q: How can I download an ISI article?

To download an ISI article on SID, enter the keyword or article title in the search bar, view the relevant results, click on the desired article, and select the 'Download Article' option.

Q: How can I access the SID database?

To access the SID database, visit SID.ir, create an account, and log in to access scientific resources.

Q: Is downloading articles from SID free?

Some articles on SID are available for free, while others require payment. Details are specified on the article's page.

SHAMKHALI AMIR NASSER; KOUZEGAR AZARI FARHAD

مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

Journal Paper

Paper Information

Journal: JOURNAL OF APPLIED CHEMISTRY Year:2017 | Volume:12 | Issue:44 Page(s): 97-108

Download Full-Text

Persian Verion

View:

818

Download:

Cites:

Information Journal Paper

Title

INVESTIGATION ON VOLUMETRIC PROPERTIES OF 1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE IONIC LIQUID, ACETONITRILE, AND THEIR MIXTURE USING MOLECULAR DYNAMICS SIMULATION

Author(s)

SHAMKHALI AMIR NASSER | KOUZEGAR AZARI FARHAD | Issue Writer Certificate

Keywords

IONIC LIQUIDQ1

1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATEQ1

ACETONITRILEQ1

COMBINATION RULESQ1

MOLECULAR DYNAMICSQ1

Abstract

Molecular dynamics simulation is an appropriate method for microscpoic modeling of materials and is widely used in several fields of science and technology. Experimental measurement of thermodynamic properties of many materials is not economic due to time consuming and high cost of instruments. Using simulation methods such as MOLECULAR DYNAMICS, thermodynamic properties of these materials can be computed and compared with experimental data. One of the important arguments in MOLECULAR DYNAMICS simulation is application of appropriate combination ruls for dissimilar pair interactions. In this study, volumetric properties of 1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE inonic liquid, ACETONITRILE, and their mixture are studied by MOLECULAR DYNAMICS simulation and using three different COMBINATION RULES for dissimilar pair interactions. Then the results are compared with experimental data inorder to evaluate validity of the applied COMBINATION RULES.

Cites

No record.

References

No record.

Cite

APA: Copy

SHAMKHALI, AMIR NASSER, & KOUZEGAR AZARI, FARHAD. (2017). INVESTIGATION ON VOLUMETRIC PROPERTIES OF 1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE IONIC LIQUID, ACETONITRILE, AND THEIR MIXTURE USING MOLECULAR DYNAMICS SIMULATION. JOURNAL OF APPLIED CHEMISTRY, 12(44), 97-108. SID. https://sid.ir/paper/243350/en

Vancouver: Copy

SHAMKHALI AMIR NASSER, KOUZEGAR AZARI FARHAD. INVESTIGATION ON VOLUMETRIC PROPERTIES OF 1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE IONIC LIQUID, ACETONITRILE, AND THEIR MIXTURE USING MOLECULAR DYNAMICS SIMULATION. JOURNAL OF APPLIED CHEMISTRY[Internet]. 2017;12(44):97-108. Available from: https://sid.ir/paper/243350/en

IEEE: Copy

AMIR NASSER SHAMKHALI, and FARHAD KOUZEGAR AZARI, “INVESTIGATION ON VOLUMETRIC PROPERTIES OF 1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE IONIC LIQUID, ACETONITRILE, AND THEIR MIXTURE USING MOLECULAR DYNAMICS SIMULATION,” JOURNAL OF APPLIED CHEMISTRY, vol. 12, no. 44, pp. 97–108, 2017, [Online]. Available: https://sid.ir/paper/243350/en

Related Journal Papers