OK, you inspired me to download an xl version of Co2sys.
Using a pCO2 of 400 and 25 deg C, I got a pH difference of 0.0704
Using a pCO2 of 600 and 25 deg C I got a pH difference of 0.0731
So I'm now not sure why you got a slightly different value. Maybe your program uses different constants or makes different assumptions.
par1type = 1 # The first parameter supplied is of type "1", which means "alkalinity"; type "4" which means Seawater partial pressure of CO2; 8" which means "Aqueous CO2""; "9", which is "Dry mole fraction of CO2""
alk = 8.5
par1 = alk*1000*0.36 # value of the first parameter
print("Tank measured Alk =", alk, "dKH (", par1, ")")
#par1 = 1500
#print("Tank target CO2 =", par1, "matm ")
par2type = 9 # The second parameter supplied is of type "3", which means "pH"; type "4" which means Seawater partial pressure of CO2; 8" which means "Aqueous CO2""; "9", which is "Dry mole fraction of CO2""
# par2 = 7.73 # value of the second parameter
# print("Tank measured pH =", par2, "NBS")
par2 = 600
print("Air CO2 =", par2, "ppm")
sal = 35 # Salinity of the sample
tempin = 25 # Temperature at input conditions
tempout = 25 # Temperature at output conditions
presin = 0 # Pressure at input conditions
presout = 0 # Pressure at output conditions
sil = 50 # Concentration of silicate in the sample (in umol/kg)
po4 = 2 # Concentration of phosphate in the sample (in umol/kg)
pHscale = 4 # pH scale at which the input pH is reported ("1" means "Total Scale") ("3" means Free Scale)("4" means NBS)
k1k2c = 4 # Choice of H2CO3 and HCO3- dissociation constants K1 and K2 ("4" means "Mehrbach refit")
kso4c = 1 # Choice of HSO4- dissociation constants KSO4 ("1" means "Dickson")