THEORETICAL CALCULATIONS OF STRUCTURES IN THE INITIAL STAGES OF POLYMERIZATION AND BRIDGES DVB POSITIONS IN THE SYNTHESIS OF A CATION EXCHANGE RESIN

• Autores: Cjuno H., Jesús A., Pacheco O., Edda G., Cubas C., Roger
• Formato: artículo
• Fecha de Publicación: 2004
• Institución: Universidad Nacional Mayor de San Marcos
• Repositorio: Revistas - Universidad Nacional Mayor de San Marcos
• Lenguaje: español
• OAI Identifier: oai:ojs.csi.unmsm:article/4689
• Enlace del recurso: https://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4689
• Nivel de acceso: acceso abierto
• Materia: Ab initio; polystyrene; copolymer; cation-exchanger; poliestireno; copolímero; intercambiador catiónico

Diverse structures have been studied involved in the initial stages of polymerization and of copolymerization with different positions of the bridges divinilbenceno (DVB) between two styrene polymers chains. The energy of the optimized geometries and vibrational frequencies calculated with methods HF and PM3 have shown that the conformation sindiotactic present the minimum of energy in relation to their similar isotactic and atactic. In the resin of exchange cationics the structures with minima of energy correspond those with bridges in intermediate positions in front of those of near or far away bridges.