{Epot_fpe.PDE - Electric POTential & FPE D.Bakewell 14:00 10/10/2000 } SELECT regrid=on errlim=8e-5 firstparts COORDINATES cartesian(x,y) VARIABLES p {solute probability or concentration} DEFINITIONS transfer("c:\windows\desktop\PhiPLTrns.dat",Phi) a=0 b=10 {rect horiz and vert dimnsions, respctivly} d=10 d12=d/2 d15=d/5 d10=d/10 dA=0.83 d2=2*d Vo=0.2 xc=d/2 { x center for this boundary is +ve elctrde right edge} ktz=298*1.38/(6.00*pi*9.00*1.08) { = 2.245 = KbT*(10^12)/zeta } Fcm=0.737 {Clusius-Msoti Fctr} k=1510*Fcm {nrmlizd valu - see Book II} Cdiff=ktz {pi already defined} Vscale=Vo {scale input Phi} Ex=-dx(Phi)*Vscale Ey=-dy(Phi)*Vscale {Electric field in X, Y dirctns} E2=Ex*Ex+Ey*Ey grdE2x=2*(Ex*dx(Ex)+Ey*dx(Ey)) {grad E^2 in X dirctn} grdE2y=2*(Ex*dy(Ex)+Ey*dy(Ey)) {grad E^2 in Y dirctn} Vx=k*grdE2x Vy=k*grdE2y Areap=(2*dA)*1 pA=integral(p,2)/Areap INITIAL VALUES p=1/(d)*1/(b-a) EQUATIONS Cdiff*div[grad(p)]-dx[p*Vx]-dy[Vy*p]=dt(p) { 2D FPE equation } BOUNDARIES Region 1 natural(p) = 0 {walking outer boundary} start (xc-d12,a) line to (xc+d12,a) to (xc+d12,b) to (xc-d12,b) to finish {start (xc-d,a) line to (xc+d,a) to (xc+d,b) to (xc-d,b) to finish} Region 2 start 'Aint1' (xc,a) line to (xc-dA,a) to (xc-dA,a+1) to (xc+dA,a+1) to (xc+dA,a) to finish FEATURE start (xc-.1,a) line to (xc-.09,a) to (xc-.08,a) to (xc-.07,a) to (xc-.06,a) to (xc-.05,a) line to (xc-.04,a) to (xc-.03,a) to (xc-.02,a) to (xc-.01,a) to (xc,a) to (xc+.01,a) to (xc+.02,a) to (xc+.03,a) to (xc+.04,a) to (xc+.05,a) to (xc+.06,a) to (xc+.07,a) to (xc+.08,a) to (xc+.09,a) to (xc+.1,a) TIME 0 to 50 by 0.00000001 { time range and initial timestep (secs)} MONITORS for cycle=10 contour(Phi) contour(p) contour(LOG10(p)) {elevation (p) from (xc,a) to (xc,b) as "X-section"} elevation (LOG10(p)) from (xc,a) to (xc,b) as "X-section" contour(Vx) contour(Vy) elevation (Vx) from (xc,a) to (xc,b) as "Vx X-section" elevation (Vy) from (xc,a) to (xc,b) as "Vy X-section" HISTORIES history (p) at (xc,a) history (pA) report(k) report(Vo) END 63577