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首页> 外文期刊>Physical chemistry chemical physics: PCCP >Molecular insights on NaCl crystal formation approaching PVDF membranes functionalized with graphene
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Molecular insights on NaCl crystal formation approaching PVDF membranes functionalized with graphene

机译:用石墨烯官能化的PVDF膜的NaCl晶体形成的分子见解

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摘要

Membrane-assisted crystallization is an emerging technology where microporous hydrophobic membranes are used not as selective barriers but to promote the water vapor transfer between phases inducing supersaturation in solution. This has been successfully tested in the crystallization of ionic salts, low molecular weight organic acids and proteins. In this work, molecular dynamics simulations were used to study the crystal nucleation and growth of sodium chloride in contact with hydrophobic polymer surfaces at a supersaturated concentration of salt. A pristine polyvinylidene fluoride (PVDF) surface and PVDF containing different concentrations of graphene platelets were studied. Membrane crystallization tests were performed in parallel, in order to compare the experimental results with the computational ones. Here, with an integrated experimental-computational approach, we demonstrate that graphene-containing membranes assisted the crystal growth of NaCl, speeding up crystal nucleation in comparison with the pristine PVDF membranes. The computational results agreed with the experimental data, allowing the possibility of exploring the behavior of nanomaterials in membrane processes at a microscopic level.
机译:膜辅助结晶是一种新出现的技术,其中微孔疏水膜不作为选择性屏障,而是促进在溶液中诱导过饱和度的相之间的水蒸气转移。这已成功地测试离子盐的结晶,低分子量有机酸和蛋白质。在这项工作中,使用分子动力学模拟在超饱和浓度的盐中研究与疏水聚合物表面接触的晶体成核和生长。研究了原始的聚偏二氟乙烯(PVDF)表面和含有不同浓度的石墨烯血小板的PVDF。膜结晶试验并行进行,以便将实验结果与计算结果进行比较。这里,通过综合的实验计算方法,我们证明了含石墨烯的膜辅助NaCl的晶体生长,与原始PVDF膜相比,加速晶体成核。计算结果与实验数据同意,允许在微观水平下探索膜过程中的纳米材料的行为。

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    ITM CNR Natl Res Council Inst Membrane Technol Via P Bucci Cubo 17-C Arcavacata Di Rende 87036 CS Italy;

    ITM CNR Natl Res Council Inst Membrane Technol Via P Bucci Cubo 17-C Arcavacata Di Rende 87036 CS Italy;

    ITM CNR Natl Res Council Inst Membrane Technol Via P Bucci Cubo 17-C Arcavacata Di Rende 87036 CS Italy;

    Nanjing Tech Univ Coll Chem Engn State Key Lab Mat Oriented Chem Engn Nanjing 211816 Peoples R China;

    ITM CNR Natl Res Council Inst Membrane Technol Via P Bucci Cubo 17-C Arcavacata Di Rende 87036 CS Italy;

    ITM CNR Natl Res Council Inst Membrane Technol Via P Bucci Cubo 17-C Arcavacata Di Rende 87036 CS Italy;

    ITM CNR Natl Res Council Inst Membrane Technol Via P Bucci Cubo 17-C Arcavacata Di Rende 87036 CS Italy;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 物理学;化学;
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