From chemistry-request@server.ccl.net Mon Apr 15 15:33:05 2002 Received: from smtpout.mac.com ([204.179.120.86]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g3FJX4j09438 for ; Mon, 15 Apr 2002 15:33:04 -0400 Received: from smtp-relay03-en1.mac.com (smtp-relay03-en1 [10.13.10.222]) by smtpout.mac.com (8.12.1/8.10.2/1.0) with ESMTP id g3FJWoW5024383 for ; Mon, 15 Apr 2002 12:32:50 -0700 (PDT) Received: from asmtp01.mac.com (asmtp01-qfe3 [10.13.10.65]) by smtp-relay03-en1.mac.com (8.12.1/8.12.1/1.0) with ESMTP id g3FJWjC7002887 for ; Mon, 15 Apr 2002 12:32:45 -0700 (PDT) Received: from wardgroup ([128.233.48.46]) by asmtp01.mac.com (Netscape Messaging Server 4.15 asmtp01 Jun 21 2001 23:53:48) with ESMTP id GUMJMK00.DLQ; Mon, 15 Apr 2002 12:32:44 -0700 Message-ID: <000a01c1e4b5$faa7f7d0$2e30e980@wardgroup> From: "H. Martin Gillis" To: Cc: Subject: gear iterators Date: Mon, 15 Apr 2002 13:44:32 -0600 MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="----=_NextPart_000_0005_01C1E483.AC78A140" X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 6.00.2600.0000 X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2600.0000 This is a multi-part message in MIME format. ------=_NextPart_000_0005_01C1E483.AC78A140 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable I want to model reaction rate constants where all four compunds A,B,C = and D are interconvertble and where an equilibrium is eventually = established. I have searched the literature and found that the use of an algorythm = known as GEAR iteration will do the job provided that the concentrations = of all 4 components versus time are known. If anyone knows where I can obtain software of GEAR Iterators = (prefereably freeware) it will be most appreciated. Marcelo Sales Dept of Chemistry University of Saskatchewan sales@duke.usask.ca ------=_NextPart_000_0005_01C1E483.AC78A140 Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable

I want to model reaction rate constants = where all=20 four compunds A,B,C and D are interconvertble and where an equilibrium = is=20 eventually established.

I have searched the literature and = found that the=20 use of an algorythm known as GEAR iteration will do the job provided = that the=20 concentrations of all 4 components versus time are known.

If anyone knows where I can obtain = software of GEAR=20 Iterators (prefereably freeware) it will be most = appreciated.

Marcelo Sales

Dept of Chemistry

University of Saskatchewan

sales@duke.usask.ca

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