Rate constants for ion pair formation and dissociation in water

✍ Scribed by Omar A. Karim; J.Andrew McCammon

• Publisher: Elsevier Science
• Year: 1986
• Tongue: English
• Weight: 520 KB
• Volume: 132
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(86)80111-7

✦ Synopsis

The reactive flux time correlation function for an associating ion pair in water is obtained by computer simulation. The transmission coeficieht is found directly frond the reactive flux and also through the method of absorbing barriers. Rate constants for the transitions between the contact and solvent-separated states of the ion pair are calculated.