Model-Free Approach for Profiling of Polydisperse Soft Matter Using Small Angle Scattering
A strategy for determining the size polydispersity of systems from their small angle coherent scattering is outlined. Using the method of moment expansion, we show that the various central moments representing the average particle size, variance of particle size, and skewness of size distribution fu...
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Veröffentlicht in: | Macromolecules 2023-08, Vol.56 (16), p.6436-6443 |
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creator | Huang, Guan-Rong Tung, Chi-Huan Porcar, Lionel Wang, Yangyang Shinohara, Yuya Do, Changwoo Chen, Wei-Ren |
description | A strategy for determining the size polydispersity of systems from their small angle coherent scattering is outlined. Using the method of moment expansion, we show that the various central moments representing the average particle size, variance of particle size, and skewness of size distribution function (SDF) for polydisperse systems can be extracted from spectral analysis without bias. When the degree of polydispersity is moderate, SDF can be further reconstructed based on the maximum entropy principle. Numerical benchmarking of a model study over a wide range of size nonuniformity demonstrates the validity of this analytical approach for quantifying the size distribution of general soft matter systems in a model-free manner. Furthermore, the efficacy of this method was validated by successfully applying it to the fitting of small-angle neutron scattering data obtained from L64 Pluronic micelles using various form factor models. The numerical and experimental verification underscores the reliability and versatility of this method in accurately characterizing the size distribution of complex soft matter systems. |
doi_str_mv | 10.1021/acs.macromol.3c00726 |
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Using the method of moment expansion, we show that the various central moments representing the average particle size, variance of particle size, and skewness of size distribution function (SDF) for polydisperse systems can be extracted from spectral analysis without bias. When the degree of polydispersity is moderate, SDF can be further reconstructed based on the maximum entropy principle. Numerical benchmarking of a model study over a wide range of size nonuniformity demonstrates the validity of this analytical approach for quantifying the size distribution of general soft matter systems in a model-free manner. Furthermore, the efficacy of this method was validated by successfully applying it to the fitting of small-angle neutron scattering data obtained from L64 Pluronic micelles using various form factor models. The numerical and experimental verification underscores the reliability and versatility of this method in accurately characterizing the size distribution of complex soft matter systems.</description><identifier>ISSN: 0024-9297</identifier><identifier>EISSN: 1520-5835</identifier><identifier>DOI: 10.1021/acs.macromol.3c00726</identifier><language>eng</language><publisher>United States: American Chemical Society</publisher><subject>entropy ; INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY ; order ; particle size ; physical and chemical properties ; scattering</subject><ispartof>Macromolecules, 2023-08, Vol.56 (16), p.6436-6443</ispartof><rights>2023 American Chemical Society</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-a319t-56f72b41ff3e81ff5206105d6d86406677b80c7391897af0e35650875a2ec76b3</citedby><cites>FETCH-LOGICAL-a319t-56f72b41ff3e81ff5206105d6d86406677b80c7391897af0e35650875a2ec76b3</cites><orcidid>0000-0001-7042-9804 ; 0000-0001-8358-8417 ; 0000-0001-6393-9574 ; 0000-0001-8284-751X ; 0000-0002-5192-0777 ; 0000000183588417 ; 0000000170429804 ; 000000018284751X ; 0000000251920777 ; 0000000163939574</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://pubs.acs.org/doi/pdf/10.1021/acs.macromol.3c00726$$EPDF$$P50$$Gacs$$H</linktopdf><linktohtml>$$Uhttps://pubs.acs.org/doi/10.1021/acs.macromol.3c00726$$EHTML$$P50$$Gacs$$H</linktohtml><link.rule.ids>230,314,776,780,881,2752,27053,27901,27902,56713,56763</link.rule.ids><backlink>$$Uhttps://www.osti.gov/servlets/purl/2000414$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Huang, Guan-Rong</creatorcontrib><creatorcontrib>Tung, Chi-Huan</creatorcontrib><creatorcontrib>Porcar, Lionel</creatorcontrib><creatorcontrib>Wang, Yangyang</creatorcontrib><creatorcontrib>Shinohara, Yuya</creatorcontrib><creatorcontrib>Do, Changwoo</creatorcontrib><creatorcontrib>Chen, Wei-Ren</creatorcontrib><creatorcontrib>Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)</creatorcontrib><title>Model-Free Approach for Profiling of Polydisperse Soft Matter Using Small Angle Scattering</title><title>Macromolecules</title><addtitle>Macromolecules</addtitle><description>A strategy for determining the size polydispersity of systems from their small angle coherent scattering is outlined. 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The numerical and experimental verification underscores the reliability and versatility of this method in accurately characterizing the size distribution of complex soft matter systems.</description><subject>entropy</subject><subject>INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY</subject><subject>order</subject><subject>particle size</subject><subject>physical and chemical properties</subject><subject>scattering</subject><issn>0024-9297</issn><issn>1520-5835</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNp9kDFPwzAQhS0EEqXwDxgs9pSzHdvJWFUUkFpRqXRhsVzHblMlcWSHof8el5aV5U66997p7kPokcCEACXP2sRJq03wrW8mzABIKq7QiHAKGS8Yv0YjAJpnJS3lLbqL8QBACM_ZCH0tfWWbbB6sxdO-D16bPXY-4FXwrm7qboe9wyvfHKs69jZEi9feDXiph8EGvIknx7rVTYOn3a5JqvlV0vge3TjdRPtw6WO0mb98zt6yxcfr-2y6yDQj5ZBx4STd5sQ5ZotU09GCAK9EVYgchJByW4CRrCRFKbUDy7jgUEiuqTVSbNkYPZ33-jjUKpp6sGZvfNdZMygKADnJkyk_mxKlGIN1qg91q8NREVAniCpBVH8Q1QViisE5dlIP_jt06ZP_Iz-xYnhZ</recordid><startdate>20230822</startdate><enddate>20230822</enddate><creator>Huang, Guan-Rong</creator><creator>Tung, Chi-Huan</creator><creator>Porcar, Lionel</creator><creator>Wang, Yangyang</creator><creator>Shinohara, Yuya</creator><creator>Do, Changwoo</creator><creator>Chen, Wei-Ren</creator><general>American Chemical Society</general><scope>AAYXX</scope><scope>CITATION</scope><scope>OIOZB</scope><scope>OTOTI</scope><orcidid>https://orcid.org/0000-0001-7042-9804</orcidid><orcidid>https://orcid.org/0000-0001-8358-8417</orcidid><orcidid>https://orcid.org/0000-0001-6393-9574</orcidid><orcidid>https://orcid.org/0000-0001-8284-751X</orcidid><orcidid>https://orcid.org/0000-0002-5192-0777</orcidid><orcidid>https://orcid.org/0000000183588417</orcidid><orcidid>https://orcid.org/0000000170429804</orcidid><orcidid>https://orcid.org/000000018284751X</orcidid><orcidid>https://orcid.org/0000000251920777</orcidid><orcidid>https://orcid.org/0000000163939574</orcidid></search><sort><creationdate>20230822</creationdate><title>Model-Free Approach for Profiling of Polydisperse Soft Matter Using Small Angle Scattering</title><author>Huang, Guan-Rong ; Tung, Chi-Huan ; Porcar, Lionel ; Wang, Yangyang ; Shinohara, Yuya ; Do, Changwoo ; Chen, Wei-Ren</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a319t-56f72b41ff3e81ff5206105d6d86406677b80c7391897af0e35650875a2ec76b3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>entropy</topic><topic>INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY</topic><topic>order</topic><topic>particle size</topic><topic>physical and chemical properties</topic><topic>scattering</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Huang, Guan-Rong</creatorcontrib><creatorcontrib>Tung, Chi-Huan</creatorcontrib><creatorcontrib>Porcar, Lionel</creatorcontrib><creatorcontrib>Wang, Yangyang</creatorcontrib><creatorcontrib>Shinohara, Yuya</creatorcontrib><creatorcontrib>Do, Changwoo</creatorcontrib><creatorcontrib>Chen, Wei-Ren</creatorcontrib><creatorcontrib>Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)</creatorcontrib><collection>CrossRef</collection><collection>OSTI.GOV - Hybrid</collection><collection>OSTI.GOV</collection><jtitle>Macromolecules</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Huang, Guan-Rong</au><au>Tung, Chi-Huan</au><au>Porcar, Lionel</au><au>Wang, Yangyang</au><au>Shinohara, Yuya</au><au>Do, Changwoo</au><au>Chen, Wei-Ren</au><aucorp>Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Model-Free Approach for Profiling of Polydisperse Soft Matter Using Small Angle Scattering</atitle><jtitle>Macromolecules</jtitle><addtitle>Macromolecules</addtitle><date>2023-08-22</date><risdate>2023</risdate><volume>56</volume><issue>16</issue><spage>6436</spage><epage>6443</epage><pages>6436-6443</pages><issn>0024-9297</issn><eissn>1520-5835</eissn><abstract>A strategy for determining the size polydispersity of systems from their small angle coherent scattering is outlined. 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subjects | entropy INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY order particle size physical and chemical properties scattering |
title | Model-Free Approach for Profiling of Polydisperse Soft Matter Using Small Angle Scattering |
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