提交: 07ecc6cc5344d8d718d0fbfda3e83526854440d0 - myprojects-hg-reborn (hg)

Commit MetaInfo

• 修订版: 07ecc6cc5344d8d718d0fbfda3e83526854440d0 (tree)
• 时间: 2008-02-26 02:42:18
• 作者: iselllo
• Commiter: iselllo

Log Message

I added videcoq.py which calculates the DLVO potential used by Videcoq.

更改概述

• add: Python-codes/videcoq.py

差异

diff -r a16c65acb32e -r 07ecc6cc5344 Python-codes/videcoq.py
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/Python-codes/videcoq.py	Mon Feb 25 17:42:18 2008 +0000
@@ -0,0 +1,67 @@
+#! /usr/bin/env python
+
+import scipy as s
+import numpy as n
+import pylab as p
+
+
+
+
+def videcoq_pot(A,B,d,k,r):
+	V_vdw=s.zeros(len(r))
+	V_el=s.zeros(len(r))
+	
+        #V[:]=s.where(r<=r_core,slope*r+intercept,V[:])
+	V_vdw=-A*(d**2./(r**2.-d**2.)+(d/r)**2.+2*s.log((r**2.-d**2.)/r**2.))
+	V_el=B*s.exp(-k*(r-d))
+
+	V_tot=V_vdw+V_el
+
+	return V_tot
+
+
+#Now it is time to calculate some parameters:
+
+
+d=500e-9 # particle diameter
+A=4.76e-20/12.
+print "A is, ", A
+
+
+#
+T=300. #temperature in kelvin
+
+k_B=1.38e-23
+z=1.
+e=1.6e-19 #electron charge in Coulombs
+epsi_0=8.85e-12 #vacuum permittivity
+epsi_r=81.
+psi=32e-3 #in Volts
+k=3.35e8
+
+
+B=s.pi*epsi_0*epsi_r*(4.*k_B*T/(z*e)*s.tanh(z*e*psi/(4.*k_B*T)))**2.
+B=B*d
+
+r=s.linspace(1.01,6.,1000)
+r=r*d
+
+
+
+potential=videcoq_pot(A,B,d,k,r)
+
+p.plot(r/d,potential/(k_B*T),linewidth=2.)
+p.ylim(min(potential/(k_B*T))-0.2,max(0.1,max(potential/(k_B*T))))
+p.xlim(0.9,max(r/d))
+p.xlabel('r')
+p.ylabel('My Radial Potential')
+#pylab.legend(('prey population','predator population'))
+p.title('Radial Potential')
+p.grid(True)
+p.savefig('videcoq_dimensional_potential.pdf')
+p.hold(False)
+p.clf()
+
+
+print "So far so good"
+