etitrator the online titration calculator kevin ngo department of chemistry central washington...
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eTitratorThe Online Titration Calculator
Kevin NgoDepartment of Chemistry
Central Washington UniversitySOURCE, May 2014
Concepts Chemical Equilibrium
General Chemistry Acid Base Titration
Confusing and Difficult Calculations
Introduction
Currently Implemented Future• Interface• Simple Input• Advanced Input• Graphical Visualization of
Titration• General Chemistry pH
Calculation• Strong Titrant• Strong and Weak Analytes • Monoprotic and Polyprotic
Acids
• Interface• Cell phones and
Tablets• Step by Step Tutorial• Problem Generator
Features
Software Up-to-date Web Browsers
Operating System Windows Mac Linux/UNIX iOS/Android
Platform Requirements
Application Programming Interface
Titration System
Acid-Base
HTML
Titration Wrapper
Complexometric
Redox
Real Life EquivalencepH Meter
Indicator
Potentiometer
Abstraction
Representative
User Interaction
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
Calculation Method
Calculation Method (cont.)
Is Analyte Strong?
Weak Analyte Calculations
Strong Analyte Calculations
Yes
No
Buffer
Equivalence Point
Titrant in Excess
Situation Equation
Some Equations Used
𝑝 𝐻=− log ¿¿Strong Acid in Excess
Buffer Region
Henderson-Hasselbalch Equation 𝑝𝐻=𝑝𝐾𝑎+ log( [𝐵𝑎𝑠𝑒 ]
[ 𝐴𝑐𝑖𝑑 ] )
Pure Weak Acid𝑝𝐻=
𝑝𝐾 𝑎− log ( [ 𝐴𝑐𝑖𝑑 ] )2
1M HCl vs 1M NaOH1M NaOH vs 1M HAc4M NaOH vs 4M H3PO4
Demonstration
NaOH vs H3PO4
Expanded Titration FunctionsAccurate pH Titrations (done w/ Fortran)Redox, Gas Phase, and Complexometric Titrations
First step towards an answer engine for chemistryTitrationThermodynamic PropertiesKinetic Mechanisms such as Michaelis-Menton mechanismSpectrum Analysis: UV-Vis, IR, Raman, NMR, and Mass Spectrum
Future Work
Physical Chemistry III class and Dr. Yingbin Ge’s Research Group
Department of Chemistry
Acknowledgements
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.
References
Questions and Comments?