<div dir="ltr">Yes, a nice reminder of some basics of life in the world. Some have posited that life would be very different if ice didn't float -- ice-9, one fictional variant.<div><br></div><div>Regarding the abstract, <font face="arial, sans-serif">"<span style="color:rgb(31,31,31)">The presence of a maximum in density is one of the well-known anomalies of water"</span></font></div><div><font face="arial, sans-serif"><span style="color:rgb(31,31,31)"><br></span></font></div><div><font face="arial, sans-serif"><span style="color:rgb(31,31,31)">What are some of the other anomalies?</span></font></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Tue, Sep 17, 2024 at 3:13 PM Ted Kochanski via LCTG <<a href="mailto:lctg@lists.toku.us">lctg@lists.toku.us</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">All,<div><br></div><div>Not to get too far into QM --- But it's not Chemistry -- it's Physics - - and then why is the minimum in a V(T) for water found @ 4C [actually 277.13 K] @ atmospheric pressure?</div><div>as is the corollary how can we skate on ice</div><div><br></div><div>see for example:</div><div>Fluid Phase Equilibria Volume 560, September 2022, 113515<br><br>Simulation and theoretical analysis of the origin of the temperature of maximum density of water<br>D. González-Salgado, E.G. Noya, E. Lomba</div><div>Received 11 January 2022, Revised 20 May 2022, Accepted 23 May 2022, Available online 25 May 2022, Version of Record 1 June 2022.<br><br><h2 style="box-sizing:border-box;margin:32px 0px 16px;padding:0px;color:rgb(31,31,31);font-family:ElsevierGulliver,Georgia,"Times New Roman",Times,STIXGeneral,"Cambria Math","Lucida Sans Unicode","Microsoft Sans Serif","Segoe UI Symbol","Arial Unicode MS",serif;font-weight:400;font-size:20px">Abstract</h2><div id="m_5118217219046061565gmail-abss0002" style="box-sizing:border-box;margin:0px;padding:0px;color:rgb(31,31,31);font-family:ElsevierGulliver,Georgia,"Times New Roman",Times,STIXGeneral,"Cambria Math","Lucida Sans Unicode","Microsoft Sans Serif","Segoe UI Symbol","Arial Unicode MS",serif;font-size:16px"><p id="m_5118217219046061565gmail-spara010" style="box-sizing:border-box;margin:0px 0px 16px;padding:0px">The presence of a maximum in density is one of the well-known anomalies of water. This maximum is located at 4°C at room pressure and it moves to lower temperatures as pressure increases. In this work, we attempt to provide a quantitative explanation of the existence of the temperature of maximum density, <em style="box-sizing:border-box;margin:0px;padding:0px">T</em><span style="box-sizing:border-box;margin:0px;padding:0px;font-size:12px;line-height:0;vertical-align:baseline">MD</span>, and its dependence on pressure, using a description in terms of low and high density water states. To that aim, we analyzed <em style="box-sizing:border-box;margin:0px;padding:0px">NpT</em><span style="box-sizing:border-box;margin:0px;padding:0px"> <a href="https://www.sciencedirect.com/topics/physics-and-astronomy/molecular-dynamics" title="Learn more about molecular dynamics from ScienceDirect's AI-generated Topic Pages" style="box-sizing:border-box;margin:0px;padding:0px;background-color:transparent;word-break:break-word;text-decoration-color:rgb(31,31,31);color:rgb(31,31,31)" target="_blank">molecular dynamics</a> trajectories of TIP4P/2005 liquid water from -1800 bar to 1000 bar, and from 238.15 K to 328.15 K. We computed the mole fractions of the low and high density water states and their partial molar volumes. We found that the temperature dependence of both quantities plays a fundamental role in the existence of the </span><em style="box-sizing:border-box;margin:0px;padding:0px">T</em><span style="box-sizing:border-box;margin:0px;padding:0px;font-size:12px;line-height:0;vertical-align:baseline">MD</span>. On the other hand, only the variation with pressure of the mole fractions of the low and high density water is essential to explain the <em style="box-sizing:border-box;margin:0px;padding:0px">T</em><span style="box-sizing:border-box;margin:0px;padding:0px;font-size:12px;line-height:0;vertical-align:baseline">MD</span> pressure dependence. Additionally, we have also performed an equivalent analysis using the parameterization of the two-state thermodynamic model proposed by Biddle <em style="box-sizing:border-box;margin:0px;padding:0px">et al.</em> [J. Chem. Phys. 146, 034502 (2017)] obtaining similar conclusions.</p></div><br><br><a href="https://doi.org/10.1016/j.fluid.2022.113515" target="_blank">https://doi.org/10.1016/j.fluid.2022.113515</a><br></div><div><br></div><div>Ted</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Sep 16, 2024 at 5:01 PM John P. Rudy via LCTG <<a href="mailto:lctg@lists.toku.us" target="_blank">lctg@lists.toku.us</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div><div lang="EN-US"><div><p class="MsoNormal"><span style="font-family:Arial,sans-serif">It is just to be funny as Calvin and Hobbes always it<u></u><u></u></span></p><p class="MsoNormal"><span style="font-family:Arial,sans-serif"><u></u> <u></u></span></p><div><div style="border-right:none;border-bottom:none;border-left:none;border-top:1pt solid rgb(225,225,225);padding:3pt 0in 0in"><p class="MsoNormal"><b><span style="font-size:11pt;font-family:Calibri,sans-serif">From:</span></b><span style="font-size:11pt;font-family:Calibri,sans-serif"> Robert Primak <<a href="mailto:bobprimak@yahoo.com" target="_blank">bobprimak@yahoo.com</a>> <br><b>Sent:</b> Monday, September 16, 2024 3:09 PM<br><b>To:</b> Lex Computer Group <<a href="mailto:lctg@lists.toku.us" target="_blank">lctg@lists.toku.us</a>>; John P. Rudy <<a href="mailto:jjrudy1@comcast.net" target="_blank">jjrudy1@comcast.net</a>><br><b>Subject:</b> Re: [Lex Computer & Tech Group/LCTG] why does ice float<u></u><u></u></span></p></div></div><p class="MsoNormal"><u></u> <u></u></p><div><div><p class="MsoNormal"><span style="font-size:10pt;font-family:Helvetica,sans-serif">As a degreed chemist, I don't need to look this one up. <u></u><u></u></span></p></div><div><p class="MsoNormal"><span style="font-size:10pt;font-family:Helvetica,sans-serif"><u></u> <u></u></span></p></div><div><p class="MsoNormal"><span style="font-size:10pt;font-family:Helvetica,sans-serif">But the Dad Answer looks a lot like ChatGPT made it up. <u></u><u></u></span></p></div><div><p class="MsoNormal"><span style="font-size:10pt;font-family:Helvetica,sans-serif"><u></u> <u></u></span></p></div><div><p class="MsoNormal"><span style="font-size:10pt;font-family:Helvetica,sans-serif">-- Bob Primak <u></u><u></u></span></p></div><div><p class="MsoNormal"><span style="font-size:10pt;font-family:Helvetica,sans-serif"><u></u> <u></u></span></p></div><div><p class="MsoNormal"><span style="font-size:10pt;font-family:Helvetica,sans-serif"><u></u> <u></u></span></p></div><div><p class="MsoNormal"><span style="font-size:10pt;font-family:Helvetica,sans-serif"><u></u> <u></u></span></p></div></div><div id="m_5118217219046061565m_355037528872831808yahoo_quoted_7340281631"><div><div><p class="MsoNormal"><span style="font-size:10pt;font-family:Helvetica,sans-serif;color:rgb(38,40,42)">On Monday, September 16, 2024 at 12:16:11 PM EDT, John P. Rudy via LCTG <<a href="mailto:lctg@lists.toku.us" target="_blank">lctg@lists.toku.us</a>> wrote: <u></u><u></u></span></p></div><div><p class="MsoNormal"><span style="font-size:10pt;font-family:Helvetica,sans-serif;color:rgb(38,40,42)"><u></u> <u></u></span></p></div><div><p class="MsoNormal"><span style="font-size:10pt;font-family:Helvetica,sans-serif;color:rgb(38,40,42)"><u></u> <u></u></span></p></div><div><div id="m_5118217219046061565m_355037528872831808yiv5301004528"><div><div><p><span style="font-family:Arial,sans-serif;color:rgb(38,40,42)"><img border="0" width="557" height="639" style="width: 5.802in; height: 6.6562in;" id="m_5118217219046061565m_355037528872831808yiv5301004528Picture_x0020_1" src="cid:ii_191fccfc84d4cff311"></span><span style="font-size:10pt;font-family:Helvetica,sans-serif;color:rgb(38,40,42)"><u></u><u></u></span></p></div></div></div><p class="MsoNormal"><span style="font-size:10pt;font-family:Helvetica,sans-serif;color:rgb(38,40,42)">===============================================<br>::The Lexington Computer and Technology Group Mailing List::<br>Reply goes to sender only; Reply All to send to list.<br>Send to the list: <a href="mailto:LCTG@lists.toku.us" target="_blank">LCTG@lists.toku.us</a> Message archives: <a href="http://lists.toku.us/pipermail/lctg-toku.us/" target="_blank">http://lists.toku.us/pipermail/lctg-toku.us/</a><br>To subscribe: email <a href="mailto:lctg-subscribe@toku.us" target="_blank">lctg-subscribe@toku.us</a> To unsubscribe: email <a href="mailto:lctg-unsubscribe@toku.us" target="_blank">lctg-unsubscribe@toku.us</a><br>Future and Past meeting information: <a href="http://LCTG.toku.us" target="_blank">http://LCTG.toku.us</a><br>List information: <a href="http://lists.toku.us/listinfo.cgi/lctg-toku.us" target="_blank">http://lists.toku.us/listinfo.cgi/lctg-toku.us</a><br>This message was sent to <a href="mailto:bobprimak@yahoo.com." target="_blank">bobprimak@yahoo.com.</a><br>Set your list options: <a href="http://lists.toku.us/options.cgi/lctg-toku.us/bobprimak@yahoo.com" target="_blank">http://lists.toku.us/options.cgi/lctg-toku.us/bobprimak@yahoo.com</a><u></u><u></u></span></p></div></div></div></div></div>===============================================<br>
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