Mesoscale structure and fractal nature of 1-propanol aqueous solution: A reverse Monte Carlo analysis of small angle neutron scattering intensity

2002 ◽  
Vol 116 (19) ◽  
pp. 8463 ◽  
Author(s):  
M. Misawa
Keyword(s):  
Aqueous Solution ◽  
Monte Carlo ◽  
Neutron Scattering ◽  
Small Angle ◽  
Small Angle Neutron Scattering ◽  
Monte Carlo Analysis ◽  
Reverse Monte Carlo ◽  
Fractal Nature ◽  
Scattering Intensity ◽  
Mesoscale Structure

scholarly journals Determination of Internal Density Profiles of Smart Acrylamide-Based Microgels by Small-Angle Neutron Scattering: A Multishell Reverse Monte Carlo Approach

Langmuir ◽  
2018 ◽  
Vol 34 (50) ◽  
pp. 15403-15415 ◽  
Author(s):  
Marian Cors ◽  
Lars Wiehemeier ◽  
Yvonne Hertle ◽  
Artem Feoktystov ◽  
Fabrice Cousin ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Neutron Scattering ◽  
Small Angle ◽  
Small Angle Neutron Scattering ◽  
Reverse Monte Carlo ◽  
Density Profiles ◽  
Monte Carlo Approach

scholarly journals Solution structure of macromolecules using small angle neutron scattering and molecular simulations

2020 ◽  
Vol 236 ◽  
pp. 03003
Author(s):  
Jayesh S. Bhatt
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Neutron Scattering ◽  
Small Angle ◽  
Small Angle Neutron Scattering ◽  
Solution Structure ◽  
Molecular Simulations ◽  
Liquid Solution ◽  
Scattering Data ◽  
Monte Carlo Techniques

An introductory account of using molecular simulations to deduce solution structure of macromolecules using small angle neutron scattering data is presented for biologists. The presence of a liquid solution provides mobility to the molecules, making it difficult to pin down their structure. Here a simple introduction to molecular dynamics and Monte Carlo techniques is followed by a recipe to use the output of the simulations along with the scattering data in order to infer the structure of macromolecules when they are placed in a liquid solution. Some practical issues to be watched for are also highlighted.

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