Thickness dependent penetrant gas transport properties and separation performance within ultrathin polysulfone membrane: Insights from atomistic molecular simulation

Lock Serene Sow Mun; Lau Kok Keong; Shariff Azmi Mohd; Yeong Yin Fong; Bustam Mohamad Azmi

摘要

ABSTRACT > Simulation technique has been employed to elucidate the effect of thickness upon confinement to gas transport properties in pure and binary mixtures within ultrathin polysulfone membranes. It is found that the gas diffusivity, solubility, and permeability are improved with increment in membrane thickness, which can be rationalized through bigger free volume in thicker polymeric membranes attributed to diminishing chains relaxation. The effect is found to be exceptionally perceptible in thinner polymeric films beneath 400 ?. Accuracy of the simulation methodology has been validated by demonstrating good accordance with actual gas permeability data. As for binary condition, the gas transport properties are demonstrated to be comparatively lower than its pure counterpart due to competitive sorption and barrier for diffusion in the presence of secondary gas molecules. In addition, quantitative re‐evaluation of published correlations and establishment of new empirical models have been conducted to associate membrane thickness effect to gas transport characteristics. ? 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018 , 56 , 131–158 </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 XMLNS =“http://www.wiley.com/namespaces/wiley”type =“main”> <title type =“main”>抽象</ title> >模拟技术已被采用阐明效果超薄聚砜膜内纯和二元混合物中的纯化性质占据厚度。发现气体扩散性，溶解度和渗透率随膜厚度的增量而改善，这可以通过厚重的聚合物膜中的更大的自由体积来合理化，该膜归因于可缩小的链松弛。发现该效果在400下方的较薄的聚合物膜中具有特别可见的。通过展示根据实际的透气性数据效益，验证了模拟方法的准确性。至于二元状况，由于在二次气体分子存在下，由于竞争性吸附和屏障，对气体传输性能进行了相对低于其纯对应物。此外，已经进行了公布相关性和建立新的经验模型的定量重新评估，以将膜厚度效应与气体传输特性相关联。还2017年Wiley期刊，Inc.J.Minon。 SCI。，B部分：聚合物。物理。 2018 </ b>， 56 </ i>，131-158 </ p> </ abstract> </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-35627/'>《Journal of Polymer Science, Part B. Polymer Physics》</a> <b style="margin: 0 2px;">|</b><span>2018年第2期</span><b style="margin: 0 2px;">|</b><span>共28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=Lock Serene Sow Mun&option=202" target="_blank" rel="nofollow">Lock Serene Sow Mun;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Lau Kok Keong&option=202" target="_blank" rel="nofollow">Lau Kok Keong;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Shariff Azmi Mohd&option=202" target="_blank" rel="nofollow">Shariff Azmi Mohd;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Yeong Yin Fong&option=202" target="_blank" rel="nofollow">Yeong Yin Fong;</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=Bustam Mohamad Azmi&option=202" target="_blank" rel="nofollow">Bustam Mohamad Azmi;</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 Engineering Research Center for CO 2 Capture Universiti Teknologi PETRONASPerak Darul Ridzuan 32610 Malaysia;</p> <p>Department of Chemical Engineering Research Center for CO 2 Capture Universiti Teknologi PETRONASPerak Darul Ridzuan 32610 Malaysia;</p> <p>Department of Chemical Engineering Research Center for CO 2 Capture Universiti Teknologi PETRONASPerak Darul Ridzuan 32610 Malaysia;</p> <p>Department of Chemical Engineering Research Center for CO 2 Capture Universiti Teknologi PETRONASPerak Darul Ridzuan 32610 Malaysia;</p> <p>Department of Chemical Engineering Research Center for CO 2 Capture Universiti Teknologi PETRONASPerak Darul Ridzuan 32610 Malaysia;</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=empirical models&option=203" rel="nofollow">empirical models;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=membranes&option=203" rel="nofollow">membranes;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=molecular modeling&option=203" rel="nofollow">molecular modeling;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=molecular simulation&option=203" rel="nofollow">molecular simulation;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=thin films&option=203" rel="nofollow">thin films;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=transport properties&option=203" rel="nofollow">transport properties;</a> <a style="color: #3E7FEB;" href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=ultrathin polymeric membrane&option=203" rel="nofollow">ultrathin polymeric membrane;</a> </p> <div class="translation"> 机译：实证模型;膜;分子建模;分子模拟;薄膜;运输性能;超薄聚合物膜; 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href="/journal-cn-7679/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 膜科学与技术 </a> </span> <span> . 2021</span><span>,第002期</span> </span> </div> </li> <li> <div> <b>6. </b><a class="enjiyixqcontent" href="/academic-conference-cn_meeting-17626_thesis/020221871542.html">流动体系中NaA分子筛膜的制备及渗透汽化分离性能研究</a> <b>[C]</b> <span> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=张小明&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor"> . 张小明</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=吕高孟&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,吕高孟</a> <a href="/search.html?doctypes=4_5_6_1-0_4-0_1_2_3_7_9&sertext=雷骞&option=202" target="_blank" rel="nofollow" class="tuijian_auth tuijian_authcolor">,雷骞</a> <span> <a href="/conference-cn-17626/" target="_blank" rel="nofollow" class="tuijian_authcolor"> . 第三届膜分离技术在石油和化工行业中应用研讨会 </a> <span> <span> . 2008</span> </span> </div> </li> <li> <div> <b>7. 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AND POLYSULFONE-BASED SEPARATION MEMBRANE PRODUCED THROUGH SAME</a> <b>[P]</b> . <span> 外国专利：  KR20140074690A </span> <span> . 2014-06-18</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：具有优异的微生物去除功能的基于聚砜的分离膜的制备方法及通过该方法制备的基于聚砜的分离膜的制备方法 </span> </p> </li> <li> <div> <b>4. </b><a class="enjiyixqcontent" href="/patent-detail/06130417584541.html">DEFECT-FREE AND HIGH PERFORMANCE UNCOATED ASYMMETRIC POLYSULFONE MEMBRANES FOR GAS SEPARATION PROCESS</a> <b>[P]</b> . <span> 外国专利：  MY150240A </span> <span> . 2013-12-31</span> </div> <p class="zwjiyix translation" style="max-width: initial;height: auto;word-break: break-all;white-space: initial;text-overflow: initial;overflow: initial;"> <span>机译：用于气体分离过程的无缺陷，高性能，未固定的不对称聚砜膜 </span> </p> </li> <li> <div> <b>5. </b><a class="enjiyixqcontent" href="/patent-detail/06130416801432.html">MANUFACTURING METHOD OF 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