From owner-chemistry@ccl.net Sun Feb  5 09:47:01 2006
From: "nokophala.#,#.aim.com" <owner-chemistry#,#server.ccl.net>
To: CCL
Subject: CCL: Aquous electrochemistry
Message-Id: <-30784-060205042901-19989-BH1M2PzKg8z5Tl9WH8yVeQ#,#server.ccl.net>
X-Original-From: nokophala#,#aim.com
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Date: Sun, 05 Feb 2006 04:28:53 -0500
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Sent to CCL by: nokophala++aim.com

Hi There,
Is anyone aware of successes in reproducing some of the tabulated redox 
potentials of electrochemical reactions that ar elisted i standard 
electrochemical tables, especiall those involving single ions? e.g. Cu 
--> Cu2+(aq) + 2e-. The key issue that I need coment on here is the 
selection of appropriate solvation models. I doubt if continuum models 
would require inclusion of at least the first shell of water molecules, 
as these are strongly bound. As a starting point I am trying to 
reproduce the experimental value of the 'reference' reaction 2H+ +2e = 
H2. Even this appears tricky.

Thanks in advance,

Noko Phala, Anglo Research
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