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Full-Text Articles in Physical Sciences and Mathematics
Chapter 3.1: Visualization Of The Nernst Equation Via 3-D Topo Surfaces: E⁰ Plateaus, Left-Hand Bluffs, Front Cliffs And Reaction Paths, Garon C. Smith, Md Mainul Hossain
Chapter 3.1: Visualization Of The Nernst Equation Via 3-D Topo Surfaces: E⁰ Plateaus, Left-Hand Bluffs, Front Cliffs And Reaction Paths, Garon C. Smith, Md Mainul Hossain
Water Topos: A 3-D Trend Surface Approach to Viewing and Teaching Aqueous Equilibrium Chemistry
A new 3-D graphical representation of oxidation–reduction (redox) processes in aqueous solutions has been developed utilizing a composition grid for which the x-axis carries the activity of the reduced form of the redox couple and the y-axis carries the activity of the oxidized form. The Nernst equation potential corresponding to the redox couple’s activities at each grid point is plotted above it as a z-coordinate. This creates a 3-D trend surface (a topo) over the grid. The topos typically have a steep left-hand bluff and a precipitous front cliff that are encountered when one or the other …
Chapter 2.2: 3-D Topo Surface Visualization Of Metal Ion Anti-Buffering: An Unexpected Behavior In Metal–Ligand Complexation Systems, Garon C. Smith, Md Mainul Hossain, Daniel D. Barry
Chapter 2.2: 3-D Topo Surface Visualization Of Metal Ion Anti-Buffering: An Unexpected Behavior In Metal–Ligand Complexation Systems, Garon C. Smith, Md Mainul Hossain, Daniel D. Barry
Water Topos: A 3-D Trend Surface Approach to Viewing and Teaching Aqueous Equilibrium Chemistry
Diluting a system that contains metal complexes can sometimes cause surprises. This chapter describes “metal ion anti-buffering”, a situation in which free metal ion concentrations rapidly increase as system dilution drives dissociation. It only occurs under excess free ligand conditions when a solution is dominated by higher stoichiometry complexes. The Law of Mass Action is used to provide a mathematical justification for the phenomenon. A Cu2+-ethylenediamine mixture exhibits this phenomenon when excess free ethylenediamine (en) is present. For example, it occurs when diluting a solution containing a four-fold excess of en over Cu2+. As this mixture …
Chapter 2.1: Visualization Of Metal Ion Buffering Via 3-D Topo Surfaces Of Complexometric Titrations, Garon C. Smith, Md Mainul Hossain
Chapter 2.1: Visualization Of Metal Ion Buffering Via 3-D Topo Surfaces Of Complexometric Titrations, Garon C. Smith, Md Mainul Hossain
Water Topos: A 3-D Trend Surface Approach to Viewing and Teaching Aqueous Equilibrium Chemistry
This chapter examines 1:1 metal-ligand complexometric titrations in aqueous media. It presents surfaces that plot computed equilibrium parameters above a composition grid with titration progress (mL of ligand) as the x-axis and overall system dilution (log C ) as the y-axis. The sample systems in this chapter are restricted to EDTA as a ligand. Other chelating ligands that form exclusively 1:1 complexes could also be modeled with this software. The surfaces show the quality of the equivalence point break under various conditions. More importantly, they develop the phenomenon of metal ion buffering. They clearly distinguish the difference between …
Chapter 1.3: 3-D Topo Surface Visualization Of Acid-Base Species Distributions: Corner Buttes, Corner Pits, Curving Ridge Crests And Dilution Plains, Garon C. Smith, Md Mainul Hossain
Chapter 1.3: 3-D Topo Surface Visualization Of Acid-Base Species Distributions: Corner Buttes, Corner Pits, Curving Ridge Crests And Dilution Plains, Garon C. Smith, Md Mainul Hossain
Water Topos: A 3-D Trend Surface Approach to Viewing and Teaching Aqueous Equilibrium Chemistry
This chapter adds 3-D species distribution topos to earlier surfaces that showed pH (Chapter 1.1) and buffer capacity behavior (Chapter 1.2) during titration and dilution procedures. It constructs trend surfaces by plotting computed alpha distribution coefficients above a composition grid with “mL of NaOH” as the x-axis and overall system dilution (log C) as the y-axis. The systematic shift from protonated to deprotonated forms is clearly visualized on a linear z-axis. Because pH and buffer capacity surfaces accompany the species topos, it is easy to see their interrelationships. On the basis of their graphical appearance, features …