Potentiometric quantification and speciation of oxygenated groups in humic substances using BEST7 software



Título del documento: Potentiometric quantification and speciation of oxygenated groups in humic substances using BEST7 software
Revue: Ecletica quimica
Base de datos: PERIÓDICA
Número de sistema: 000340688
ISSN: 0100-4670
Autores: 1
2
3
3
Instituciones: 1Servico Nacional de Aprendizagem Industrial, Unidade de Servicos Tecnologicos, Porto Alegre, Rio Grande do Sul. Brasil
2Universidade de Caxias do Sul, Centro de Ciencias Exatas e Tecnologia, Caxias do Sul, Rio Grande do Sul. Brasil
3Universidade Federal de Santa Catarina, Departamento de Quimica, Florianopolis, Santa Catarina. Brasil
Año:
Periodo: Oct-Dic
Volumen: 35
Número: 4
Paginación: 147-152
País: Brasil
Idioma: Inglés
Tipo de documento: Artículo
Enfoque: Experimental
Resumen en inglés In this study the BEST7 software was employed to quantify different classes of functional groups and to model the proton titration behavior of humic substances. To illustrate the process, the Suwannee River fulvic acid of the IHSS (International Humic Substances Society) was used. Five categories - two classes of phenolic groups (phenol and cathecol), two classes of carboxylic groups (benzoic and phtalic) and the combination between them (salicylic) - of oxygenated groups were considered as being responsible for the potentiometric behavior of the sample and were quantitatively determined. The most and the least abundant groups were cathecol (3.300 ± 0.010 mmol g-1) and phenol (1.225 ± 0.070 mmol g-1), respectively. The estimated equilibrium constants were also determined and were in good agreement with the literature values for phenol and cathecol groups and for benzoic, phtalic and salicylic acids. Distribution diagrams of the species were generated with the software SPE and SPEPLOT
Disciplinas: Química,
Ciencias de la computación,
Geociencias
Palabras clave: Química analítica,
Hidrología,
Computación,
Sustancias húmicas,
Potenciometría,
Software BEST7
Keyword: Chemistry,
Computer science,
Earth sciences,
Analytical chemistry,
Hydrology,
Humic substances,
Potentiometry,
BEST7 software
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