Featured Research

from universities, journals, and other organizations

Gap geometry grasped: New algorithm elucidates structure of liquids and how they flow through porous media

Date:
February 1, 2013
Source:
Springer Science+Business Media
Summary:
A new algorithm could help understand the structure of liquids, and how they flow through porous media. Theoretical physicists have now implemented an algorithm for analyzing void space in sphere packing, where the spheres need not all be the same size.

A new algorithm could help understand the structure of liquids, and how they flow through porous media.
Credit: Image courtesy of Springer Science+Business Media

A new algorithm could help understand the structure of liquids, and how they flow through porous media.

Theoretical physicist Moumita Maiti and colleagues at the Jawaharlal Nehru Centre for Advanced Scientific Research in Bangalore, India, have now implemented an algorithm for analysing void space in sphere packing, where the spheres need not all be the same size. This method, about to be published in The European Physical Journal E, could be applied to analyse the geometry of liquids present between multi-sized spheres that are akin to a model for porous material. This provides a tool for studying the flow of such fluids through porous material. More importantly, it can also be used to study the packing geometry of proteins.

There have been several previous attempts to calculate the volume and the surface area of packing of spheres. But few methods have taken into account the connectivity of empty space between spheres, which matters, for example, when detecting buried cavities in proteins.

To remedy this issue, the authors have relied on a programme capable of performing a very detailed study of the size distribution of the free volumes of individual spheres-that is, the volume swept by the centre of the sphere without overlapping with any of the other spheres-in jammed sphere packing.. It also makes it possible to calculate the exact volumes and surface areas of cavities by detecting the disconnected components of cavities.

The team applied this method to the analysis of protein structures. This led them to compute various key quantities such as the distribution of sizes of buried cavities and pockets between spheres, the matching of areas accessible to solvent in which protein are found with the corresponding volumes and the composition of residues lining cavities.

Ultimately, the authors are planning to prepare this algorithm for distribution as open source software.


Story Source:

The above story is based on materials provided by Springer Science+Business Media. Note: Materials may be edited for content and length.


Journal Reference:

  1. Moumita Maiti, Arun Lakshminarayanan, Srikanth Sastry. Characterization of void space in polydisperse sphere packings: Applications to hard-sphere packings and to protein structure analysis. The European Physical Journal E, 2013; 36 (1) DOI: 10.1140/epje/i2013-13005-4

Cite This Page:

Springer Science+Business Media. "Gap geometry grasped: New algorithm elucidates structure of liquids and how they flow through porous media." ScienceDaily. ScienceDaily, 1 February 2013. <www.sciencedaily.com/releases/2013/02/130201090403.htm>.
Springer Science+Business Media. (2013, February 1). Gap geometry grasped: New algorithm elucidates structure of liquids and how they flow through porous media. ScienceDaily. Retrieved September 2, 2014 from www.sciencedaily.com/releases/2013/02/130201090403.htm
Springer Science+Business Media. "Gap geometry grasped: New algorithm elucidates structure of liquids and how they flow through porous media." ScienceDaily. www.sciencedaily.com/releases/2013/02/130201090403.htm (accessed September 2, 2014).

Share This




More Matter & Energy News

Tuesday, September 2, 2014

Featured Research

from universities, journals, and other organizations


Featured Videos

from AP, Reuters, AFP, and other news services

Australian Airlines Relax Phone Ban Too

Australian Airlines Relax Phone Ban Too

Reuters - Business Video Online (Aug. 26, 2014) Qantas and Virgin say passengers can use their smartphones and tablets throughout flights after a regulator relaxed a ban on electronic devices during take-off and landing. As Hayley Platt reports the move comes as the two domestic rivals are expected to post annual net losses later this week. Video provided by Reuters
Powered by NewsLook.com
Hurricane Marie Brings Big Waves to California Coast

Hurricane Marie Brings Big Waves to California Coast

Reuters - US Online Video (Aug. 26, 2014) Huge waves generated by Hurricane Marie hit the Southern California coast. Rough Cut (no reporter narration). Video provided by Reuters
Powered by NewsLook.com
Chinese Researchers Might Be Creating Supersonic Submarine

Chinese Researchers Might Be Creating Supersonic Submarine

Newsy (Aug. 26, 2014) Chinese researchers have expanded on Cold War-era tech and are closer to building a submarine that could reach the speed of sound. Video provided by Newsy
Powered by NewsLook.com
Breakingviews: India Coal Strained by Supreme Court Ruling

Breakingviews: India Coal Strained by Supreme Court Ruling

Reuters - Business Video Online (Aug. 26, 2014) An acute coal shortage is likely to be aggravated as India's supreme court declared government coal allocations illegal, says Breakingviews' Peter Thal Larsen. Video provided by Reuters
Powered by NewsLook.com

Search ScienceDaily

Number of stories in archives: 140,361

Find with keyword(s):
Enter a keyword or phrase to search ScienceDaily for related topics and research stories.

Save/Print:
Share:

Breaking News:
from the past week

In Other News

... from NewsDaily.com

Science News

Health News

Environment News

Technology News



Save/Print:
Share:

Free Subscriptions


Get the latest science news with ScienceDaily's free email newsletters, updated daily and weekly. Or view hourly updated newsfeeds in your RSS reader:

Get Social & Mobile


Keep up to date with the latest news from ScienceDaily via social networks and mobile apps:

Have Feedback?


Tell us what you think of ScienceDaily -- we welcome both positive and negative comments. Have any problems using the site? Questions?
Mobile: iPhone Android Web
Follow: Facebook Twitter Google+
Subscribe: RSS Feeds Email Newsletters
Latest Headlines Health & Medicine Mind & Brain Space & Time Matter & Energy Computers & Math Plants & Animals Earth & Climate Fossils & Ruins