Thermodynamics of Mobile Order Theory: Solubility and Partition Aspects

The purpose of this thesis is to analyze the thermochemical properties of solutes in nonelectrolyte pure solvents and to develop mathematical expressions with the ability to describe and predict solution behavior using mobile order theory. Solubilities of pesticides (monuron, diuron, and hexachlorobenzene), polycyclic aromatic hydrocarbons (biphenyl, acenaphthene, and phenanthrene), and the organometallic ferrocene were studied in a wide array of solvents. Mobile order theory predictive equations were derived and percent average absolute deviations between experimental and calculated mole fraction solubilities for each solute were as follows: monuron in 21 non-alcoholic solvents (48.4%), diuron in 28 non-alcoholic solvents (60.1%), hexachlorobenzene (210%), biphenyl (13.0%), acenaphthene (37.8%), phenanthrene (41.3%), and ferrocene (107.8%). Solute descriptors using the Abraham solvation model were also calculated for monuron and diuron. Coefficients in the general solvation equation were known for all the solvents and solute descriptors calculated using multilinear regression techniques.

Grantor dc:publisher

University of North Texas

Year dc:date

2004

Author dc:creator

• De Fina, Karina M.

Contributors dc:contributor

• Acree, William E.
• Theriot, Leroy James

• Solubility.
• Solvents.
• Solution (Chemistry)
• polycyclic aromatic hydrocarbons
• mobile order theory
• solubility
• partition coefficients
• pesticides

Statement dc:rights

• Public
• Copyright
• De Fina, Karina M.
• Copyright is held by the author, unless otherwise noted. All rights reserved.

Language dc:language

English

Identifier

oclc: 56612863
https://digital.library.unt.edu/ark:/67531/metadc4626/
ark: ark:/67531/metadc4626

OAI identifier oai:identifier

info:ark/67531/metadc4626