eTitrator The Online Titration Calculator

1. eTitratorThe Online Titration Calculator Kevin Ngo Department of Chemistry Central Washington University SOURCE, May 2014

2. Introduction • Concepts • Chemical Equilibrium • General Chemistry • Acid Base Titration • Confusing and Difficult Calculations

3. Features

4. Platform Requirements • Software • Up-to-date Web Browsers • Operating System • Windows • Mac • Linux/UNIX • iOS/Android

5. Application Programming Interface User Interaction HTML Titration Wrapper Titration System Abstraction Acid-Base Complexometric Redox Representative pH Meter Potentiometer Real Life Equivalence Indicator

6. Calculation Method • General Approach • Before titrant is added • Buffer region(s) • At equivalence point(s) • Beyond equivalence point (titrant in excess) • Approximations • Hiccups where it should be smooth

7. Calculation Method (cont.) Buffer Is Analyte Strong? Weak Analyte Calculations Equivalence Point No Titrant in Excess Yes Strong Analyte Calculations

8. Some Equations Used Pure Weak Acid Buffer Region Henderson-Hasselbalch Equation Strong Acid in Excess

9. Demonstration NaOH vs H3PO4 1M HCl vs 1M NaOH 1M NaOHvs 1M HAc 4M NaOH vs 4M H3PO4

10. Future Work • Expanded Titration Functions • Accurate pH Titrations (done w/ Fortran) • Redox, Gas Phase, and Complexometric Titrations • First step towards an answer engine for chemistry • Titration • Thermodynamic Properties • Kinetic Mechanisms such as Michaelis-Menton mechanism • Spectrum Analysis: UV-Vis, IR, Raman, NMR, and Mass Spectrum

11. Acknowledgements Physical Chemistry III class and Dr. Yingbin Ge’s Research Group Department of Chemistry

12. References Harris, D. C. (2010). Quantitative chemical analysis (8th ed.). New York: W.H. Freeman and Co.. McQuarrie, D. A., & Rock, P. A. (2011). General chemistry (4th ed.). Mill Valley, CA: University Science Books.

13. Questions and Comments?