option nolet
open #1:screen 0,0.5,0,1
open #2:screen .5,1,.5,1
window #1
!title :kfcc =>(c)onditional (f)ormation(k)onstant
! Zn(NH3)4(n+) -> n=2,numner ligands = 4
!serie :analytical chemistry
!filename :kfccfinalversion1.tru
! serie:analytical chemistry
print
print "*********************************************"
print "* kfcc 'version 1.0' *"
print "* use: to find conditional equilibrium *"
print "* formation constant = kfcc *"
print "* kfcc = alpha4*betaL*kf ,EDTA = H(4)Y *"
print "*********************************************"
print "*********************************************"
print "* [email protected],29/10/2016 *"
print "*********************************************"
!rem: H(4)Y,H3Y(-),H2Y(2-),HY(3-),Y(4-)
!*****************************************
! H(4)Y -> H3Y(-) +H(+) ,ka_edta(1)
! H3Y(-) -> H2Y(2-)+H(+) ,ka_edta(2)
! H2Y(2-)-> HY(3-)+H(+) ,ka_edta(3)
! HY(3-) -> Y(4-) +H(+) ,ka_edta(4)
!*****************************************
print
m=4 ! H(m)Y
m1 = 4 ! number of ligand
l = 0.1 ! concentration of ligand
print "************"
print "* given = *"
print "************"
print " number of ligands = ";m1
print " concentration of ligand L = ";l;" M"
kf = 3.2*10^16 ! kf =[MY(2-)]/([M(2+)]*[Y(4-)])
!kd = dissociation constant ? we use kf
dim ka_edta(1)
mat redim ka_edta(m)
for i=1 to m
read ka_edta(i)
next i
data 1.02E-2,2.14E-3,6.92E-7,5.50E-11
print " equilibrium formation constant (kf) = ";kf
for i= 1 to m
print " ka_edta(";i;") = ";ka_edta(i);
next i
dim kfL(1)
mat redim kfl(m1)
for i=1 to m1
read kfL(i)
next i
print
print " constants for ligand formation => "
for i= 1 to m
print " kfL(";i;") = ";kfL(i);
next i
print
print
print "************"
print "* result = *"
print "************"
print "*********************************"
print " M(n+)+Y(4-) <-> MY(n-4),M=metal "
print " kf = [MY(n-4)]/([M(n+)]*[Y(4-))]"
print "*********************************"
print "******************************************"
print "*kfc = kf*alpha4=MY(n-4)/([M(n+)]*[EDTA])*"
print "******************************************"
print "******************************************"
print "*kfcc = kf*alpha4*BetaL *"
print "*kfcc = MY(n-4)/(C_m*C_EDTA) *"
print "******************************************"
print " C_M = unreacted M(n+) "
print " C_EDTA =[EDTA] "
print "******************************************"
call beta_ligand(m1,kfL(),L,betaL)
print " BetaL (Beta_ligand) = ";betaL
print "******************************************"
print
print " pH"," alpha4 "," kfc","kfcc"
print
for i1=0 to 14 step 1
x=10^(-i1)
call alpha_4(ka_edta(),x,som)
print i1,som,kf*som,kf*som*betaL
next i1
!*******************************************
window #2 ! draw graph right part of screen
!*******************************************
! windows 2 ,subs ,for :before,by,after 'EP'
!*******************************************
dim xp(2),yp(2)
ntx = 15! tick marks x-axis
nty = 10! tick marks y-axis
xp(1)=0 ! xmin
xp(2)=14 ! xmax
yp(1)=0 ! ymin
yp(2)=1 ! ymax
ask pixels px,py
asp_r = 1! px/py !aspect ratio correction(rectangular window)
set window xp(1)*asp_r,xp(2)*asp_r,yp(1),yp(2)
call draw_axes(xp(1)*asp_r,xp(2)*asp_r,yp(1),yp(2),ntx,nty)
set color "black"
!*********************************************************
! info : graph,title,numbering,label axes
!*********************************************************
title$ = "graph : pH versus - alpha4 "
x_txt$ = "pH"
y_txt$ = "alpha4"
txt = 10 ! distance from right part of the window
!**********************************************************
call num_txt_axes(title$,x_txt$,y_txt$,xp(),yp(),txt)
!**********************************************************
! draw graph in the window x-axes ,y-axes(right part)
!**********************************************************
set color "red" ! color of the graph
for i1=0 to 14 step .0001
x=10^(-i1)
call alpha_4(ka_edta(),x,som)
plot points: i1,som
next i1
!***********************************************
! statement : read -> data,formation constant
!***********************************************
! Zn(NH3)4(2+): data kfl(1),kfl(2),kfl(3),kfl(4)
!***********************************************
! M+L = ML -> kf1(1)
! ML+L = ML2 -> kf1(2)
! ML2+L = ML3 -> kfl(3)
! ML3+L = ML4 -> kfl(4)
!***********************************************
!***********************************************
data 190,221.05263,247.61905,109.61538
end
sub beta_ligand(m,kfL(),L,betaL)
!*************************************************
!L = [NH3],M = [Zn(2+)],Zn(2+) + NH3 = Zn(NH3)(2+)
!*************************************************
som = 1
for j = 1 to m
prod =1
for i=1 to j
prod = prod*kfL(i)
next i
som = som + (l)^(j)*prod
next j
betaL = 1/som
end sub
sub alpha_4(k_edta(),h,alpha4)
!********************************
! numerator
!********************************
tel = 1
for i=1 to 4
tel = K_edta(i)*tel
next i
!print "tel = ";tel
! denominator
som = h^4
for j = 1 to 4
prod = 1
for i=1 to j
prod = prod*k_edta(i)
next i
!print " prod = ";prod
som = som + prod*(h)^(4-j)
next j
noem = som
!********************************
! alpha4 = numerator/denominator
!********************************
alpha4 = tel/noem
end sub
sub num_txt_axes(title$,x_txt$,y_txt$,xp(),yp(),txt)
plot text,at 2,yp(2)-.1:title$
!*****************************************
!**** range x axis 0 to xmax *******
!*****************************************
for i=0 to xp(2)
plot text,at i,0.01:str$(i)
next i !,
plot text,at xp(2)-2,0.1:x_txt$
!*****************************************
!**** range y axis 0 to ymax ************
!*****************************************
for i=0 to yp(2)*10
plot text,at 0.1,i/10:str$(i/10)
next i
plot text,at .5,yp(2)-0.05:y_txt$
end sub
SUB draw_axes(xmin,xmax,ymin,ymax,ntx,nty)
! axis :for distribution function
! see extra,website
! distance between tick marks on x-axis
LET dx = (xmax - xmin)/ntx
! distance between tick marks on y-axis
LET dy = (ymax - ymin)/nty
SET WINDOW xmin ,xmax ,ymin ,ymax
LET x0 = max(0,xmin)
LET y0 = max(0,ymin)
IF ymin*ymax < 0 then
LET y0 = 0
ELSE
LET y0 = ymin
END IF
PLOT LINES: xmin,y0;xmax,y0 ! horizontal axis
PLOT LINES: x0,ymin;x0,ymax ! vertical axis
LET tx = 0.1*dy ! size of tick mark
LET ty = 0.1*dx
FOR itick = 0 to ntx
LET x = xmin + itick*dx
PLOT LINES: x,y0 - tx; x,y0 + tx ! draw ticks on x axis
next itick
FOR itick = 0 to nty
LET y = ymin + itick*dy
PLOT LINES: x0 - ty,y; x0 + ty,y ! draw ticks on y axis
NEXT itick
END SUB