YARM: Yet Another Relaxation Matrix program
A program for performing nuclear spin relaxation calculations
Sections: Main | Using YARM | Subroutines | Theory | Samples | Resources
Subsections: Introduction | Relaxation | CSA | Structure | Data Fitting | Hydrodynamics | Interface | Utilities | System
calcDt | calcDr | calcViscosity

These subroutines calculate various hydrodynamic properties.

&calcDt

Summary:
Calculates translational diffusion rates from hydrodynamics theory

Usage:
$Dt = &calcDt( "s", $eta, $temp_c, $a );
or
$Dt = &calcDt( "pe", $eta, $temp_c, $a, $b );
or
$Dt = &calcDt( "c", $eta, $temp_c, $a, $b );

Description:
$eta = viscosity of solvent
$temp_c = temperature in celcius
$a = length of the long axis
$b = length of the short axis

Calculate the translational diffusion rate of the following hydrodynamical shapes:
Sphere, "s"
Prolate Ellipse, "pe"
Cylinder, "c"

Example:

&calcDr

Summary:
Calculates rotational diffusion rates from hydrodynamics theory

Usage:

Description:
This function has yet to be implimented.

Example:

&calcViscosity

Summary:
Calculates solvent viscosity

Usage:
$vis = &calcViscosity( $temp_c, $fraction );

Description:
$temp_c = temperature in celcius
$fraction = fraction of H2O vs D20, fraction=0 for 100% D2O and fraction=1 for 100% H2O

Example: