<?xml version="1.0" encoding="ISO-8859-1"?><article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
<front>
<journal-meta>
<journal-id>2221-2442</journal-id>
<journal-title><![CDATA[Revista CENIC Ciencias Químicas]]></journal-title>
<abbrev-journal-title><![CDATA[Rev. CENIC Cienc. Quím.]]></abbrev-journal-title>
<issn>2221-2442</issn>
<publisher>
<publisher-name><![CDATA[Centro Nacional de Investigaciones Científicas]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S2221-24422020000100090</article-id>
<title-group>
<article-title xml:lang="es"><![CDATA[Enfoque teórico de la conductividad térmica de cadenas simples de polietileno utilizando la función de green]]></article-title>
<article-title xml:lang="en"><![CDATA[Theoretical approach to the thermal conductivity of single polyethylene chains using the green function]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Vergara-Lorduy]]></surname>
<given-names><![CDATA[Javier]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[García M]]></surname>
<given-names><![CDATA[Álvaro]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Vivas]]></surname>
<given-names><![CDATA[Eider Iván]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Vivas-Reyes]]></surname>
<given-names><![CDATA[Ricardo]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
<xref ref-type="aff" rid="Aaf"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad de Cartagena Facultad de Ciencias Exactas y Naturales Grupo de Química Cuántica y Teórica]]></institution>
<addr-line><![CDATA[ Cartagena]]></addr-line>
<country>Colombia</country>
</aff>
<aff id="Af2">
<institution><![CDATA[,Facultad de Ciencias Exactas y Naturales Dpto. de Física Grupo GICIS]]></institution>
<addr-line><![CDATA[ Cartagena]]></addr-line>
<country>Colombia</country>
</aff>
<aff id="Af3">
<institution><![CDATA[,Fundación Universitaria Comfenalco Facultad de Ingenierías, Programa de ingeniería Industria Grupo CipTec]]></institution>
<addr-line><![CDATA[ Cartagena]]></addr-line>
<country>Colombia</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>06</month>
<year>2020</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>06</month>
<year>2020</year>
</pub-date>
<volume>51</volume>
<numero>1</numero>
<fpage>90</fpage>
<lpage>97</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://scielo.sld.cu/scielo.php?script=sci_arttext&amp;pid=S2221-24422020000100090&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://scielo.sld.cu/scielo.php?script=sci_abstract&amp;pid=S2221-24422020000100090&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://scielo.sld.cu/scielo.php?script=sci_pdf&amp;pid=S2221-24422020000100090&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="es"><p><![CDATA[RESUMEN Los estudios sobre la conductividad térmica de cadenas simples de polímeros han sido de vital importancia para mejorar propiedades térmicas de los materiales poliméricos voluminosos. En la presente investigación se calculó la conductividad térmica de nanofibras de polietileno de alta densidad (HDPE por sus siglas en inglés) mediante el enfoque del método de simulación de dinámica molecular en equilibrio Green-Kubo. Los resultados sugieren que la conductividad térmica de una cadena de nanofibra de polietileno es alta (aproximadamente 26 W/mK) a temperatura ambiente, y ésta alcanza valores mayores al aumentar la longitud de la cadena, por ende, dicho enfoque proporciona estrategias útiles para optimizar las propiedades térmicas intrínsecas de las nanoestructuras poliméricas.]]></p></abstract>
<abstract abstract-type="short" xml:lang="en"><p><![CDATA[ABSTRACT Studies on thermal conductivity of single polymer chains have been of vital importance to improve thermal properties of bulky polymeric materials. In the present research, the thermal conductivity of high density polyethylene (HDPE) nanofibers was calculated using the Green-Kubo equilibrium molecular dynamics simulation method. Results suggest that the thermal conductivity of a polyethylene nanofiber chain is high (approximately 26 W/mK) at room temperature, and this reaches higher values when increasing the chain length, therefore this approach provides useful strategies to optimize the intrinsic thermal properties of polymeric nanostructures.]]></p></abstract>
<kwd-group>
<kwd lng="es"><![CDATA[Green-Kubo]]></kwd>
<kwd lng="es"><![CDATA[Polietileno]]></kwd>
<kwd lng="es"><![CDATA[Conductividad Térmica]]></kwd>
<kwd lng="es"><![CDATA[Dinámica Molecular en equilibrio]]></kwd>
<kwd lng="en"><![CDATA[Green-Kubo]]></kwd>
<kwd lng="en"><![CDATA[Polyethylene]]></kwd>
<kwd lng="en"><![CDATA[Thermal Conductivity]]></kwd>
<kwd lng="en"><![CDATA[Equilibrium molecular dynamics]]></kwd>
</kwd-group>
</article-meta>
</front><back>
<ref-list>
<ref id="B1">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Li]]></surname>
<given-names><![CDATA[G]]></given-names>
</name>
<name>
<surname><![CDATA[Shrotriya]]></surname>
<given-names><![CDATA[V]]></given-names>
</name>
<name>
<surname><![CDATA[Huang]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Yao]]></surname>
<given-names><![CDATA[Y]]></given-names>
</name>
<name>
<surname><![CDATA[Moriarty]]></surname>
<given-names><![CDATA[T]]></given-names>
</name>
<name>
<surname><![CDATA[Emery]]></surname>
<given-names><![CDATA[K]]></given-names>
</name>
<name>
<surname><![CDATA[Yang]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
</person-group>
<source><![CDATA[Nat. Mater]]></source>
<year>2005</year>
<volume>4</volume>
</nlm-citation>
</ref>
<ref id="B2">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Nie]]></surname>
<given-names><![CDATA[Z]]></given-names>
</name>
<name>
<surname><![CDATA[Kumacheva]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
</person-group>
<source><![CDATA[Nat. Mater]]></source>
<year>2008</year>
<volume>7</volume>
</nlm-citation>
</ref>
<ref id="B3">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Liu]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
</person-group>
<source><![CDATA[Adv. Mater]]></source>
<year>2007</year>
<volume>19</volume>
</nlm-citation>
</ref>
<ref id="B4">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ryan]]></surname>
<given-names><![CDATA[A J.]]></given-names>
</name>
</person-group>
<source><![CDATA[Nature]]></source>
<year>2008</year>
<volume>456</volume>
</nlm-citation>
</ref>
<ref id="B5">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Bruening]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[Dotzauer]]></surname>
<given-names><![CDATA[D]]></given-names>
</name>
</person-group>
<source><![CDATA[Nat. Mater]]></source>
<year>2009</year>
<volume>8</volume>
</nlm-citation>
</ref>
<ref id="B6">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Charnley]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[Textor]]></surname>
<given-names><![CDATA[M]]></given-names>
</name>
<name>
<surname><![CDATA[Acikgoz]]></surname>
<given-names><![CDATA[C]]></given-names>
</name>
</person-group>
<source><![CDATA[React. Funct. Polym]]></source>
<year>2011</year>
<volume>71</volume>
</nlm-citation>
</ref>
<ref id="B7">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Wang]]></surname>
<given-names><![CDATA[RY]]></given-names>
</name>
<name>
<surname><![CDATA[Segalman]]></surname>
<given-names><![CDATA[RA]]></given-names>
</name>
<name>
<surname><![CDATA[Majumdar]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
</person-group>
<source><![CDATA[Appl Phys Lett]]></source>
<year>2006</year>
<volume>89</volume>
</nlm-citation>
</ref>
<ref id="B8">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Jin]]></surname>
<given-names><![CDATA[JZ]]></given-names>
</name>
<name>
<surname><![CDATA[Manoharan]]></surname>
<given-names><![CDATA[MP]]></given-names>
</name>
<name>
<surname><![CDATA[Wang]]></surname>
<given-names><![CDATA[Q]]></given-names>
</name>
<name>
<surname><![CDATA[Haque]]></surname>
<given-names><![CDATA[MA]]></given-names>
</name>
</person-group>
<source><![CDATA[Appl Phys Lett]]></source>
<year>2009</year>
<volume>95</volume>
</nlm-citation>
</ref>
<ref id="B9">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Losego]]></surname>
<given-names><![CDATA[MD]]></given-names>
</name>
<name>
<surname><![CDATA[Moh]]></surname>
<given-names><![CDATA[L]]></given-names>
</name>
<name>
<surname><![CDATA[Arpin]]></surname>
<given-names><![CDATA[KA]]></given-names>
</name>
<name>
<surname><![CDATA[Cahill]]></surname>
<given-names><![CDATA[DG]]></given-names>
</name>
<name>
<surname><![CDATA[Braun]]></surname>
<given-names><![CDATA[PV]]></given-names>
</name>
</person-group>
<source><![CDATA[Appl Phys Lett]]></source>
<year>2010</year>
<volume>97</volume>
</nlm-citation>
</ref>
<ref id="B10">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Cahill]]></surname>
<given-names><![CDATA[DG]]></given-names>
</name>
<name>
<surname><![CDATA[Ford]]></surname>
<given-names><![CDATA[WK]]></given-names>
</name>
<name>
<surname><![CDATA[Goodson]]></surname>
<given-names><![CDATA[KE]]></given-names>
</name>
<name>
<surname><![CDATA[Mahan]]></surname>
<given-names><![CDATA[GD]]></given-names>
</name>
<name>
<surname><![CDATA[Majumdar]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
<name>
<surname><![CDATA[Maris]]></surname>
<given-names><![CDATA[HJ]]></given-names>
</name>
</person-group>
<source><![CDATA[J Appl Phys]]></source>
<year>2003</year>
<volume>93</volume>
<page-range>793-818</page-range></nlm-citation>
</ref>
<ref id="B11">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Varshney]]></surname>
<given-names><![CDATA[V]]></given-names>
</name>
<name>
<surname><![CDATA[Patnaik]]></surname>
<given-names><![CDATA[SS]]></given-names>
</name>
<name>
<surname><![CDATA[Roy]]></surname>
<given-names><![CDATA[AK]]></given-names>
</name>
<name>
<surname><![CDATA[Farmer]]></surname>
<given-names><![CDATA[BL.]]></given-names>
</name>
</person-group>
<source><![CDATA[Polymer]]></source>
<year>2009</year>
<volume>50</volume>
<page-range>3378-85</page-range></nlm-citation>
</ref>
<ref id="B12">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Padgett]]></surname>
<given-names><![CDATA[CW]]></given-names>
</name>
<name>
<surname><![CDATA[Brenner]]></surname>
<given-names><![CDATA[CW.]]></given-names>
</name>
</person-group>
<source><![CDATA[Nano Lett]]></source>
<year>2004</year>
<volume>4</volume>
<page-range>1051</page-range></nlm-citation>
</ref>
<ref id="B13">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Cao]]></surname>
<given-names><![CDATA[BY]]></given-names>
</name>
<name>
<surname><![CDATA[Hou]]></surname>
<given-names><![CDATA[QW.]]></given-names>
</name>
</person-group>
<source><![CDATA[Chin. Phys. Lett]]></source>
<year>2008</year>
<volume>25</volume>
<page-range>1392</page-range></nlm-citation>
</ref>
<ref id="B14">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Shen]]></surname>
<given-names><![CDATA[S]]></given-names>
</name>
<name>
<surname><![CDATA[Henry]]></surname>
<given-names><![CDATA[A]]></given-names>
</name>
<name>
<surname><![CDATA[Tong]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Zheng]]></surname>
<given-names><![CDATA[RT]]></given-names>
</name>
<name>
<surname><![CDATA[Chen]]></surname>
<given-names><![CDATA[G.]]></given-names>
</name>
</person-group>
<source><![CDATA[Nat. Nanotechnol]]></source>
<year>2010</year>
<volume>5</volume>
<page-range>251</page-range></nlm-citation>
</ref>
<ref id="B15">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Cao]]></surname>
<given-names><![CDATA[BY]]></given-names>
</name>
<name>
<surname><![CDATA[Li]]></surname>
<given-names><![CDATA[YW]]></given-names>
</name>
<name>
<surname><![CDATA[Kong]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Chen]]></surname>
<given-names><![CDATA[H]]></given-names>
</name>
<name>
<surname><![CDATA[Xu]]></surname>
<given-names><![CDATA[Y]]></given-names>
</name>
<name>
<surname><![CDATA[Yung]]></surname>
<given-names><![CDATA[KL]]></given-names>
</name>
<name>
<surname><![CDATA[Cai]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<source><![CDATA[Polymer]]></source>
<year>2011</year>
<volume>52</volume>
<page-range>1711</page-range></nlm-citation>
</ref>
<ref id="B16">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Cao]]></surname>
<given-names><![CDATA[BY]]></given-names>
</name>
<name>
<surname><![CDATA[Kong]]></surname>
<given-names><![CDATA[J]]></given-names>
</name>
<name>
<surname><![CDATA[Xu]]></surname>
<given-names><![CDATA[Y]]></given-names>
</name>
<name>
<surname><![CDATA[Yung]]></surname>
<given-names><![CDATA[KL]]></given-names>
</name>
<name>
<surname><![CDATA[Cai]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<source><![CDATA[Heat Transfer Eng]]></source>
<year>2013</year>
<volume>34</volume>
<page-range>131</page-range></nlm-citation>
</ref>
<ref id="B17">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Choy]]></surname>
<given-names><![CDATA[CL]]></given-names>
</name>
<name>
<surname><![CDATA[Fei]]></surname>
<given-names><![CDATA[Y]]></given-names>
</name>
<name>
<surname><![CDATA[Xi]]></surname>
<given-names><![CDATA[TG.]]></given-names>
</name>
</person-group>
<source><![CDATA[J Polym Sci B Polym Phys]]></source>
<year>1993</year>
<volume>31</volume>
<page-range>365-70</page-range></nlm-citation>
</ref>
<ref id="B18">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Choy]]></surname>
<given-names><![CDATA[CL]]></given-names>
</name>
<name>
<surname><![CDATA[Luk]]></surname>
<given-names><![CDATA[WK]]></given-names>
</name>
<name>
<surname><![CDATA[Chen]]></surname>
<given-names><![CDATA[FC.]]></given-names>
</name>
</person-group>
<source><![CDATA[Polymer]]></source>
<year>1978</year>
<volume>19</volume>
<page-range>155-62</page-range></nlm-citation>
</ref>
<ref id="B19">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Choy]]></surname>
<given-names><![CDATA[CL]]></given-names>
</name>
<name>
<surname><![CDATA[Wong]]></surname>
<given-names><![CDATA[YW]]></given-names>
</name>
<name>
<surname><![CDATA[Yang]]></surname>
<given-names><![CDATA[GW]]></given-names>
</name>
<name>
<surname><![CDATA[Kanamoto]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
</person-group>
<source><![CDATA[J Polym Sci B Polym Phys]]></source>
<year>1999</year>
<volume>37</volume>
<page-range>3359-67</page-range></nlm-citation>
</ref>
<ref id="B20">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Kirkwood]]></surname>
<given-names><![CDATA[JG.]]></given-names>
</name>
</person-group>
<source><![CDATA[J. Chem. Phys]]></source>
<year>1939</year>
<volume>7</volume>
<page-range>506</page-range></nlm-citation>
</ref>
<ref id="B21">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[S]]></surname>
<given-names><![CDATA[Plimpton.]]></given-names>
</name>
</person-group>
<source><![CDATA[J. Comput. Phys]]></source>
<year>1995</year>
<volume>117</volume>
<numero>1</numero>
<issue>1</issue>
<page-range>19</page-range></nlm-citation>
</ref>
<ref id="B22">
<nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Frisch]]></surname>
<given-names><![CDATA[M.J.]]></given-names>
</name>
<name>
<surname><![CDATA[Trucks]]></surname>
<given-names><![CDATA[G.W.]]></given-names>
</name>
<name>
<surname><![CDATA[Schlegel]]></surname>
<given-names><![CDATA[H.B.]]></given-names>
</name>
</person-group>
<source><![CDATA[Gaussian 09. Molecular wave function calculator to obtain a series of atomic and molecular properties]]></source>
<year>2004</year>
<publisher-name><![CDATA[Gaussian Inc, Wallingford CT]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B23">
<nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Volz]]></surname>
<given-names><![CDATA[S]]></given-names>
</name>
<name>
<surname><![CDATA[Chen]]></surname>
<given-names><![CDATA[G.]]></given-names>
</name>
</person-group>
<source><![CDATA[Phys. Rev. B]]></source>
<year>2000</year>
<volume>61</volume>
<page-range>2651</page-range></nlm-citation>
</ref>
</ref-list>
</back>
</article>
