update best practice

simongravelle · Jan 22, 2024 · bfc6bd1 · bfc6bd1
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diff --git a/docs/references/from-zotero.bib b/docs/references/from-zotero.bib
@@ -782,6 +782,13 @@ @article{coasneMultiscaleAdsorptionTransport2016
   file = {/home/simon/snap/zotero-snap/common/Zotero/storage/87CKEHC4/Coasne - 2016 - Multiscale adsorption and transport in hierarchica.pdf}
 }
 
+@online{CorrelationsNMRRelaxation,
+  title = {Correlations of {{NMR}} Relaxation Time with Viscosity/Temperature, Diffusion Coefficient and Gas/Oil Ratio of Methane-Hydrocarbon Mixtures},
+  url = {https://repository.rice.edu/items/3c174209-db4b-440e-9771-cab54461b998},
+  urldate = {2024-01-22},
+  file = {/home/simon/snap/zotero-snap/common/Zotero/storage/T7ALAUXS/3c174209-db4b-440e-9771-cab54461b998.html}
+}
+
 @article{coudertMolecularMechanismSwing2017,
   title = {Molecular {{Mechanism}} of {{Swing Effect}} in {{Zeolitic Imidazolate Framework ZIF}}‐8: {{Continuous Deformation}} upon {{Adsorption}}},
   shorttitle = {Molecular {{Mechanism}} of {{Swing Effect}} in {{Zeolitic Imidazolate Framework ZIF}}‐8},
@@ -2406,6 +2413,18 @@ @article{liuInterfacialLayerStructure2005
   file = {/home/simon/snap/zotero-snap/common/Zotero/storage/ALCGLYGE/Liu et al. - 2005 - Interfacial layer structure at alcoholsilica inte.pdf}
 }
 
+@thesis{loCorrelationsNMRRelaxation1999,
+  title = {Correlations of {{NMR Relaxation Time}} with {{Viscosity}}/{{Temperature}}, {{Diffusion Coefficient}} and {{Gas}}/{{Oil Ratio}} of {{Methane-Hydrocarbon Mixtures}}},
+  editora = {Lo, Sho-Wei},
+  editoratype = {collaborator},
+  date = {1999},
+  institution = {{Rice University}},
+  location = {{Houston}},
+  url = {https://hdl.handle.net/1911/19530},
+  urldate = {2024-01-22},
+  file = {/home/simon/snap/zotero-snap/common/Zotero/storage/4W6Z3PUW/Lo - 2000 - Correlations of NMR relaxation time with viscosity.PDF}
+}
+
 @online{mackayCountoscopeMeasuringSelf2023,
   title = {The {{Countoscope}}: {{Measuring Self}} and {{Collective Dynamics}} without {{Trajectories}}},
   shorttitle = {The {{Countoscope}}},
@@ -4023,7 +4042,8 @@ @article{yangNMRMeasurementBitumen2008
   doi = {10.1016/j.jmr.2008.03.007},
   abstract = {Heavy oil (bitumen) is characterized by its high viscosity and density, which is a major obstacle to both well logging and recovery. Due to the lost information of T2 relaxation time shorter than echo spacing (TE) and interference of water signal, estimation of heavy oil properties from NMR T2 measurements is usually problematic. In this work, a new method has been developed to overcome the echo spacing restriction of NMR spectrometer during the application to heavy oil (bitumen). A FID measurement supplemented the start of CPMG. Constrained by its initial magnetization (M0) estimated from the FID and assuming log normal distribution for bitumen, the corrected T2 relaxation time of bitumen sample can be obtained from the interpretation of CPMG data. This new method successfully overcomes the TE restriction of the NMR spectrometer and is nearly independent on the TE applied in the measurement. This method was applied to the measurement at elevated temperatures (8-90 degrees C). Due to the significant signal-loss within the dead time of FID, the directly extrapolated M0 of bitumen at relatively lower temperatures ({$<$}60 degrees C) was found to be underestimated. However, resulting from the remarkably lowered viscosity, the extrapolated M0 of bitumen at over 60 degrees C can be reasonably assumed to be the real value. In this manner, based on the extrapolation at higher temperatures ({$>$} or = 60 degrees C), the M0 value of bitumen at lower temperatures ({$<$}60 degrees C) can be corrected by Curie's Law. Consequently, some important petrophysical properties of bitumen, such as hydrogen index (HI), fluid content and viscosity were evaluated by using corrected T2.},
   langid = {english},
-  keywords = {NMR}
+  keywords = {NMR},
+  file = {/home/simon/snap/zotero-snap/common/Zotero/storage/K29S7L6N/Yang and Hirasaki - 2008 - NMR measurement of bitumen at different temperatur.pdf}
 }
 
 @online{yanInteractivePolymerBuilding2022,

diff --git a/docs/source/theory/best-practice.rst b/docs/source/theory/best-practice.rst
@@ -76,8 +76,12 @@ Simulation accuracy
     the inter-molecular :math:`T_1^\text{inter}` is slightly
     under-estimated, which is mainly due to an over-estimation
     of the inter-molecular characteristic time :math:`\tau_\text{inter}`.
-    These observations are consistent
-    with previous measurements :cite:`gravelleNMRInvestigationWater2023`.
+    Our results also indicate that for a cut-off of 1\,nm,
+    which is commonly used value, a small error of 
+    about 1\,\% is induced. These observations are consistent
+    with previous measurements :cite:`gravelleNMRInvestigationWater2023`,
+    and confirm that care must be taken if one attempt in reproducing
+    accurately NMR quantities.
 
 .. image:: ../figures/illustrations/bulk-water/effect_cutoff-dark.png
     :class: only-dark