Mesoscale Simulations of the Rheology of Filled Styrene–Butadiene Compounds

机译：富含苯乙烯 - 丁二烯化合物的流变学的Messcore模拟

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Abstract > The ability of a highly coarse‐grained polymer model is explored to simulate the impact of carbon black (CB) filler concentration on the rheological properties of unvulcanized styrene–butadiene melts—an intermediate stage in the production of styrene–butadiene rubber (SBR) commonly used in tyres. Responsive particle dynamics (RaPiD), previously used to study dilute polymeric systems, models entire polymers as single particles interacting through a combination of conservative interactions and transient entanglement‐mimicking forces. The simulation parameters are tuned to the linear rheology of the unfilled melt, as measured using a rubber process analyzer (RPA). For the filled compounds, only the interaction between the polymers and fillers is varied. On top of excluded volume interactions, a slight attraction (≈0.1 k <sub>B</sub> T ) between polymers and fillers is required to attain agreement with RPA measurements. The physical origins of the small strength of this interaction are discussed. This method offers potential for future numerical investigations of filled melts. </abstract> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> <div class="translation abstracttxt"> <span class="zhankaihshouqi fivelineshidden" id="abstract"> <span>机译：</span><Abstract Type =“Main”XML：Lang =“en”> <标题类型=“main”>抽象</ title> > 探讨了高粗粒聚合物模型的能力，以模拟炭黑（Cb）填料浓度对未硫化苯乙烯 - 丁二烯熔体的流变性能的影响 - 中间阶段的苯乙烯 - 丁二烯橡胶（SBR）的中间阶段用于轮胎。以前用于研究稀释聚合物系统的响应粒子动力学（RAPP），以通过保守相互作用和瞬态缠结 - 模拟力的组合相互作用，将整个聚合物模拟整个聚合物。使用橡胶工艺分析仪（RPA）测量，模拟参数调谐到未填充熔体的线性流变学。对于填充的化合物，只有聚合物和填料之间的相互作用变化。在排除的卷相互作用之上，略有吸引力（≈0.0 k </ i> <sub> b </ sub> t </ i> ）聚合物和填料之间需要与RPA测量进行达成协议。讨论了这种相互作用的小强度的物理起源。该方法提供了未来填充熔体的数值调查的潜力。 </ p> </摘要> </span> <span class="z_kbtn z_kbtnclass hoverxs" style="display: none;">展开▼</span> </div> </div> <div class="record"> <h2 class="all_title" id="enpatent33" >著录项</h2> <ul> <li> <span class="lefttit">来源</span> <div style="width: 86%;vertical-align: text-top;display: inline-block;"> <a href='/journal-foreign-24304/'>《Macromolecular theory and simulations》</a> <b style="margin: 0 2px;">|</b><span>2018年第5期</span><b style="margin: 0 2px;">|</b><span>共11页</span> </div> </li> <li> <div class="author"> <span class="lefttit">作者</span> <p id="fAuthorthree" class="threelineshidden zhankaihshouqi"> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Fitzgerald Barry W.&option=202" target="_blank" rel="nofollow">Fitzgerald Barry W.;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=den Otter Wouter K.&option=202" target="_blank" rel="nofollow">den Otter Wouter K.;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Luding Stefan&option=202" target="_blank" rel="nofollow">Luding Stefan;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Briels Wim J.&option=202" target="_blank" rel="nofollow">Briels Wim J.;</a> </p> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zkzz" style="display: none;">展开▼</span> </div> </li> <li> <div style="display: flex;"> <span class="lefttit">作者单位</span> <div style="position: relative;margin-left: 3px;max-width: 639px;"> <div class="threelineshidden zhankaihshouqi" id="fOrgthree"> <p>Multi Scale MechanicsUniversity of TwenteP.O. Box 217 7500 AE Enschede The Netherlands;</p> <p>Multi Scale MechanicsUniversity of TwenteP.O. Box 217 7500 AE Enschede The Netherlands;</p> <p>Multi Scale MechanicsUniversity of TwenteP.O. Box 217 7500 AE Enschede The Netherlands;</p> <p>Computational BioPhysicsUniversity of TwenteP.O. Box 217 7500 AE Enschede The Netherlands;</p> </div> <span class="z_kbtnclass z_kbtnclassall hoverxs" id="zhdw" style="display: none;">展开▼</span> </div> </div> </li> <li > <span class="lefttit">收录信息</span> <span style="width: 86%;vertical-align: text-top;display: inline-block;"></span> </li> <li> <span class="lefttit">原文格式</span> <span>PDF</span> </li> <li> <span class="lefttit">正文语种</span> <span>eng</span> </li> <li> <span class="lefttit">中图分类</span> <span><a href="https://www.zhangqiaokeyan.com/clc/1185.html" title="高分子化学（高聚物）">高分子化学（高聚物）;</a></span> </li> <li class="antistop"> <span class="lefttit">关键词</span> <p style="width: 86%;vertical-align: text-top;"> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=coarse grained simulations&option=203" rel="nofollow">coarse grained simulations;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=elastomers&option=203" rel="nofollow">elastomers;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=filled and unfilled polymers&option=203" rel="nofollow">filled and unfilled polymers;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=mesoscopic model&option=203" rel="nofollow">mesoscopic model;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=rheology&option=203" rel="nofollow">rheology;</a> </p> <div class="translation"> 机译：粗粒模拟;弹性体;填充和未填充的聚合物;介观模型;流变学; </div> </li> </ul> </div> </div> <div class="literature cardcommon"> <div class="similarity "> <h3 class="all_title" id="enpatent66">相似文献</h3> <div class="similaritytab clearfix"> <ul> <li class="active" >外文文献</li> <li >中文文献</li> <li >专利</li> </ul> </div> <div class="similarity_details"> <ul > <li> <div> <b>1. </b><a class="enjiyixqcontent" href="/journal-foreign-detail/0704023539108.html">Mesoscale Simulations of the Rheology of Filled Styrene–Butadiene Compounds</a> <b>[J]</b> . 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