Science Park main page

Science Park

science park

Table of Elements

Chemical information

Science dictionary

scientific data

Site map

Gifts and souvenirs


printable version

Simulation Home

MC Polymer
MC Introduction
Polymer Introduction
Polymer Simulation
Universal Behavior
Coil-Globule
Simulation Model
Sampling Method
Applet Instruction

Run Applet
Run applet
(in new window)

Source code

Education Billboard - meet and serve your education needs

chemistry calculations



moon phases
 

Polymer simulation, page 6 Polymer Simulation, Page 7 Universal behavior, page 8

One of the important observable that can be measured is called the radius of gyration, s. It is essentially a measure of the ‘size’ of a polymer chain with the following mathematical definition:

radius of gyration

Note that the quantity is usually describes in its square form as it is easier (and faster) to compute in this form. The Ri is the coordinate position for Bead labelled i. The N is the chain length or number of linkages. There are N+1 beads in a chain of length N. In words, s is the average distance of all beads from their common centre of gravity, Rc, or a point where a chain will be in a balanced position when placed on top of an imaginary tip:

center of gravity

The angular brackets is a mathematical notation of an average over many samples (chain patterns). In scientific jargon it is a thermodynamic averaging of the statistical sample. If you are familiar with statistics, the quantity s is similar to a deviation. The accuracy of s depends on the number of samples we collect. The more sample we collect, the more accurate s can be obtained. Note that there is always an uncertainty associate with any thermodynamic average quantities since we are not able to sample all possible chain structures. It is meaningless to simply describe a value of s for a particular chain structure as it is not a true representative of the overall chain size.

There is another average quantity called the end-to-end distance, or the distance between two terminal beads. It is much simpler and quicker to compute. However, it is only interesting purely from theoretical point of view as it is difficult to measure experimentally. On the other hand, s is an important quantity and can be measured in experiment.

Polymer simulation, page 6 Universal behavior, page 8

scenery


| Copyright | Privacy | Disclaimer | Contact |

© 2004-2010 Etacude.com, all rights reserved.