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Model Discrimination between RAFT Polymerization Models Using Sequential Bayesian Methodology

机译：使用顺序贝叶斯方法筏筏聚合模型的模型鉴别

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Abstract >The use of sequential Bayesian methodology for model discrimination purposes in reversible addition‐fragmentation transfer (RAFT) polymerization is analyzed and discussed from a mathematical model discrimination point of view. The RAFT models are detailed nonlinear mechanistic models from the literature, where the debate is still ongoing about their validity. A sensitivity analysis is performed first on the simulated models in order to identify the most informative process (measured) outputs from the candidate models with respect to model discrimination. Next, sequential Bayesian Monte Carlo model discrimination (SBMCMD) methodology is applied to discriminate between the two rival models. The effectiveness of the SBMCMD procedure in discriminating between the two proposed models (both describing basic RAFT polymerization kinetic trends successfully) is explored further. Most informative experiments are designed and suggested based on the design of experiments step of the SBMCMD methodology. The methodology is capable of selecting the “real” model. </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> >分析了使用顺序贝叶斯方法进行可逆添加 - 碎片转移（筏）聚合中的模型辨别目的，并从数学模型鉴别的角度讨论。 RAFT模型是文献的详细非线性机制模型，争论仍然持续到他们的有效性。首先在模拟模型上执行灵敏度分析，以便识别关于模型辨别的候选模型的最具信息性的过程（测量）输出。接下来，应用顺序贝叶斯蒙特卡罗模型歧视（SBMCMD）方法以区分两种竞争模型。进一步探讨了SBMCMD程序在两个拟议模型（成功地描述基本筏聚合动力学趋势）之间判断的效力。基于SBMCMD方法的实验步骤的设计，设计和建议大多数信息实验。该方法能够选择“真实”模型。</ 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=Masoumi Samira&option=202" target="_blank" rel="nofollow">Masoumi Samira;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Duever Thomas A.&option=202" target="_blank" rel="nofollow">Duever Thomas A.;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Penlidis Alexander&option=202" target="_blank" rel="nofollow">Penlidis Alexander;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Azimi Reza&option=202" target="_blank" rel="nofollow">Azimi Reza;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=López‐Domínguez Porfirio&option=202" target="_blank" rel="nofollow">López‐Domínguez Porfirio;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Vivaldo‐Lima Eduardo&option=202" target="_blank" rel="nofollow">Vivaldo‐Lima Eduardo;</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>Department of Chemical EngineeringUniversity of WaterlooWaterloo Ontario N2L 3G1 Canada;</p> <p>Department of Chemical EngineeringRyerson UniversityToronto Ontario M5B 2K3 Canada;</p> <p>Department of Chemical EngineeringUniversity of WaterlooWaterloo Ontario N2l 3G1 Canada;</p> <p>Department of Civil &</p> <p>Environmental EngineeringUniversity of AlbertaEdmonton Alberta T6G 1H9 Canada;</p> <p>Facultad de QuímicaUniversidad Nacional Autónoma de México04510 Ciudad de México México;</p> <p>Facultad de QuímicaUniversidad Nacional Autónoma de México04510 Ciudad de México México;</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=model discrimination&option=203" rel="nofollow">model discrimination;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=reversible addition‐fragmentation chain transfer (RAFT)&option=203" rel="nofollow">reversible addition‐fragmentation chain transfer (RAFT);</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=reversible deactivation radical polymerization (RDRP)&option=203" rel="nofollow">reversible deactivation radical polymerization (RDRP);</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=sequential Bayesian methodology&option=203" rel="nofollow">sequential Bayesian methodology;</a> </p> <div class="translation"> 机译：模型鉴别;可逆添加 - 碎片链转移（筏）;可逆停用自由基聚合（RDRP）;顺序贝叶斯方法; </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/0704023539084.html">Model Discrimination between RAFT 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