Calculation of the Surface Tension of Ordinary Organic and Ionic Liquids by Means of a Generally Applicable Computer Algorithm Based on the Group-Additivity Method

Thumbnail image of item number 1 in: 'Calculation of the Surface Tension of Ordinary Organic and Ionic Liquids by Means of a Generally Applicable Computer Algorithm Based on the Group-Additivity Method'.
Thumbnail image of item number 2 in: 'Calculation of the Surface Tension of Ordinary Organic and Ionic Liquids by Means of a Generally Applicable Computer Algorithm Based on the Group-Additivity Method'.
Thumbnail image of item number 3 in: 'Calculation of the Surface Tension of Ordinary Organic and Ionic Liquids by Means of a Generally Applicable Computer Algorithm Based on the Group-Additivity Method'.
Thumbnail image of item number 4 in: 'Calculation of the Surface Tension of Ordinary Organic and Ionic Liquids by Means of a Generally Applicable Computer Algorithm Based on the Group-Additivity Method'.
Showing 1-4 of 17 pages in this article.

PDF Version Also Available for Download.

Description

This article presents the calculation of the surface tension of ordinary organic and ionic liquids, based on a computer algorithm applying a refined group-additivity method.

Physical Description

17 p.

Creation Information

Naef, Rudolf May 20, 2018.

Context

This article is part of the collection entitled: UNT Scholarly Works and was provided by the UNT College of Science to the UNT Digital Library, a digital repository hosted by the UNT Libraries. It has been viewed 113 times. More information about this article can be viewed below.

Who

People and organizations associated with either the creation of this article or its content.

Author

Publisher

Provided By

UNT College of Science

The College of Science provides students with the high-demand skills and knowledge to succeed as researchers and professionals. The College includes four departments: Biology, Chemistry, Math, and Physics, and is also home to a number of interdisciplinary programs, centers, institutes, intercollegiate programs, labs, and services.

About | Browse this Partner

Contact Us

Corrections Questions

What

Descriptive information to help identify this article. Follow the links below to find similar items on the Digital Library.

Degree Information

Description

This article presents the calculation of the surface tension of ordinary organic and ionic liquids, based on a computer algorithm applying a refined group-additivity method.

Physical Description

17 p.

Notes

Abstract: The calculation of the surface tension of ordinary organic and ionic liquids, based on a
computer algorithm applying a refined group-additivity method, is presented. The refinement
consists of the complete breakdown of the molecules into their constituting atoms, further
distinguishing them by their immediate neighbour atoms and bond constitution. The evaluation
of the atom-groups’ contributions was carried out by means of a fast Gauss-Seidel fitting method,
founded upon the experimental data of 1893 compounds from literature. The result has been tested
for plausibility using a 10-fold cross-validation (cv) procedure. The direct calculation and the cv
test proved the applicability of the present method by the close similarity and excellent goodness of
fit R2 and Q2 of 0.9039 and 0.8823, respectively. The respective standard deviations are 1.99 and
2.16 dyn/cm. Some correlation peculiarities have been observed in a series of ordinary and ionic
liquids with homologous alkyl chains, as well as with di- and trihydroxy-groups-containing liquids,
which have been discussed in detail, exhibiting the limit of the present method.

Source

  • Molecules, 2018. Basel, Switzerland: Multidisciplinary Digital Publishing Institute

Language

Item Type

Identifier

Unique identifying numbers for this article in the Digital Library or other systems.

Publication Information

  • Publication Title: Molecules
  • Volume: 23
  • Pages: 17
  • Peer Reviewed: Yes

Collections

This article is part of the following collection of related materials.

UNT Scholarly Works

Materials from the UNT community's research, creative, and scholarly activities and UNT's Open Access Repository. Access to some items in this collection may be restricted.

About | Browse this Collection

What responsibilities do I have when using this article?

Digital Files

When

Dates and time periods associated with this article.

Submitted Date

  • April 16, 2018

Accepted Date

  • May 17, 2018

Creation Date

  • May 20, 2018

Added to The UNT Digital Library

  • June 15, 2018, 10:41 p.m.

Description Last Updated

  • Feb. 8, 2021, 3:39 p.m.

Usage Statistics

When was this article last used?

Yesterday: 0
Past 30 days: 0
Total Uses: 113
More Statistics

Interact With This Article

Here are some suggestions for what to do next.

Start Reading

Thumbnail image of item number 1 in: 'Calculation of the Surface Tension of Ordinary Organic and Ionic Liquids by Means of a Generally Applicable Computer Algorithm Based on the Group-Additivity Method'.
Thumbnail image of item number 2 in: 'Calculation of the Surface Tension of Ordinary Organic and Ionic Liquids by Means of a Generally Applicable Computer Algorithm Based on the Group-Additivity Method'.
Thumbnail image of item number 3 in: 'Calculation of the Surface Tension of Ordinary Organic and Ionic Liquids by Means of a Generally Applicable Computer Algorithm Based on the Group-Additivity Method'.
Thumbnail image of item number 4 in: 'Calculation of the Surface Tension of Ordinary Organic and Ionic Liquids by Means of a Generally Applicable Computer Algorithm Based on the Group-Additivity Method'.

PDF Version Also Available for Download.

Citations, Rights, Re-Use

International Image Interoperability Framework

IIF Logo

We support the IIIF Presentation API

Links for Robots

Helpful links in machine-readable formats.

Archival Resource Key (ARK)

International Image Interoperability Framework (IIIF)

Metadata Formats

Images

URLs

Stats

Naef, Rudolf. Calculation of the Surface Tension of Ordinary Organic and Ionic Liquids by Means of a Generally Applicable Computer Algorithm Based on the Group-Additivity Method, article, May 20, 2018; Basel, Switzerland. (https://digital.library.unt.edu/ark:/67531/metadc1164519/: accessed March 23, 2023), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; crediting UNT College of Science.

Back to Top of Screen