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[sdpd] Re: Help for microabsorption coefficient

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      <p>Dear Daxu,<br>
<br>
Microabsorption models, including the Brindley's one, are based on the LAC, not MAC ? don't be confused.<br>
The Brindley correction is more-or-less applicable only to mixtures with very small values of LAC*ParticleSize, which is not the case for the QPA-CPD Sample 4. <br>
In DDM I use another model of microabsorption (not Brindley) that allows extending the correction to larger values of LAC*ParticleSize. <br>
The problem of Sample 4, however, is not only in the microabsorption, but also in random distortions of the peak intensities caused by the poor orientation averaging in the coarse powder.<br>
<br>
Best regards,<br>
Leonid<br>
<br>
*******************************************************<br>
Leonid A. Solovyov<br>
Institute of Chemistry and Chemical Technology<br>
660049, K. Marx 42, Krasnoyarsk, Russia<br>
<a href="http://sites.google.com/site/solovyovleonid";>http://sites.google.com/site/solovyovleonid</a><br>
*******************************************************<br>
<br>
--- In <a href="mailto:sdpd%40yahoogroups.com";>sdpd...@yahoogroups.com</a>, &quot;daxuliu&quot; &lt;daxuliu...@...&gt; wrote:<br>
&gt;<br>
&gt; Dear Solovyov, thank you very much! <br>
&gt; I can't access your website in this time, and I'll try it later. I know it's little possible to get the right answer from this sample, and I just want to learn the Brindley correction by it. However, I find that the linear coefficient was used in the talbe tabulated by Brindley in Fullprof manual. I wonder whether it should be mass absorption coefficient(MAC) not yet linear absorption coefficient(LAC).<br>
&gt; Another question is that the microabsorption mainly depends on MAC and not LAC? The relationship betweent them is MAC=LAC/density. I'm confused on it. Thanks very much!<br>
&gt; Sincerely DAXU<br>
&gt; <br>
&gt; --- In <a href="mailto:sdpd%40yahoogroups.com";>sdpd...@yahoogroups.com</a>, &quot;L_Solovyov&quot; &lt;l_solovyov...@&gt; wrote:<br>
&gt; &gt;<br>
&gt; &gt; You may check a DDM-file:<br>
&gt; &gt; <br>
&gt; &gt; <a href="http://sites.google.com/site/ddmsuite/tutorials/CPD-4-DDM.zip";>http://sites.google.com/site/ddmsuite/tutorials/CPD-4-DDM.zip</a><br>
&gt; &gt; <br>
&gt; &gt; while the intensities in cpd-4 are severely distorted since the sample was not ground, so one should not expect much from this test.<br>
&gt; &gt; <br>
&gt; &gt; *******************************************************<br>
&gt; &gt; Leonid A. Solovyov<br>
&gt; &gt; Institute of Chemistry and Chemical Technology<br>
&gt; &gt; 660049, K. Marx 42, Krasnoyarsk, Russia<br>
&gt; &gt; <a href="http://sites.google.com/site/solovyovleonid";>http://sites.google.com/site/solovyovleonid</a><br>
&gt; &gt; *******************************************************<br>
&gt; &gt; <br>
&gt; &gt; --- In <a href="mailto:sdpd%40yahoogroups.com";>sdpd...@yahoogroups.com</a>, &quot;daxuliu&quot; &lt;daxuliu...@&gt; wrote:<br>
&gt; &gt; &gt;<br>
&gt; &gt; &gt; Hi,everyone,<br>
&gt; &gt; &gt; I wonder whether someone has refined these data of Round Robin QPA of IUCrCPD. Sample 4 presented a microabsorption problem. I try to refine this sample by the Brindley method. The Brindley coefficients, which I have gotten in terms of the grain size (28.0 um for corundum, 36.2 um<br>
&gt; &gt; &gt; for magnetite and 21.1 um for zircon), are  1.362, 0.587, 1.108 respectively for corundum, magnetite and zircon, and the ATZ (Coefficient to calculate the weight percentage of the phase.) values are respectively 449.1615, 3155.821 and 661.7455 for them. I'm not sure whether these coefficients (Values of tau as a function of the product (mj-mu)R) are right  and I just got them by the table tabulated by Brindley.<br>
&gt; &gt; &gt; I'm very appreciated if you have refined this data and post the corresponding optimized structure parameters. Thanks very much!!<br>
&gt; &gt; &gt; sincerely, daxu<br>
&gt; &gt; &gt;<br>
&gt; &gt;<br>
&gt;<br>
<br>
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