Thermometric Titration Simulation

Titration of a Host Analyte with a Weak Acid Guest Titrant.
Buffer (same for both titrant and analyte)
Concentration for buffer: mM    
pH: or Concentration of added HCl (for pH adjustment) mM
Titrant
Concentration for guest+: mM     Addition volume: mL    
pH: or Concentration of added HCl (for pH adjustment) mM
Analyte
Volume: mL     Sample concentration [H]o: mM    
pH: or Concentration of added NaOH (for pH adjustment) mM

Volume correction:    Variable Volume   Constant Volume (Microcal)
Titrant into Buffer subtraction:    None   Constant   Full

Equilibrium Constants and Enthalpies Guesses (Checked parameters are fit)
Water:
K0 = Kw  =       DH0  kcal/mol       (H2O->H++OH-)
Buffer:
K1 = Ka1 =       DH1  kcal/mol   
K2 = Ka2 =       DH2  kcal/mol   
Guest Titrant:
K3 = KaG =       DH3  kcal/mol   
Guest Host:
K4 = KHG =       DH4  kcal/mol   

Titration data (step # and dH in kcal/mol):

Fit Convergence Mode: Fast     Damped     Strongly Damped

       
Titration Curve:

You can copy and paste the results into Excel for convenient plotting.

Colby College Chemistry, Thomas W. Shattuck, 10/10/07