• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验

使用德拜-休克尔近似模拟有限德拜长度下的聚电解质的自由溶液电泳。

Simulations of free-solution electrophoresis of polyelectrolytes with a finite Debye length using the Debye-Hückel approximation.

机构信息

Department of Physics, University of Ottawa, Ottawa, Ontario, Canada.

出版信息

Phys Rev Lett. 2012 Aug 31;109(9):098302. doi: 10.1103/PhysRevLett.109.098302. Epub 2012 Aug 28.

DOI:10.1103/PhysRevLett.109.098302
PMID:23002891
Abstract

We introduce a mesoscale simulation method based on multiparticle collision dynamics (MPCD) for the electrohydrodynamics of polyelectrolytes with finite Debye lengths. By applying the Debye-Hückel approximation to assign an effective charge to MPCD particles near charged monomers, our simulations are able to reproduce the rapid rise in the electrophoretic mobility with respect to the degree of polymerization for the shortest polymer lengths followed by a small decrease for longer polymers due to charge condensation. Moreover, these simulations demonstrate the importance of a finite Debye length in accurately determining the mobility of uniformly charged polyelectrolytes and net neutral polyampholytes.

摘要

我们引入了一种基于多粒子碰撞动力学(MPCD)的介观模拟方法,用于研究具有有限德拜长度的聚电解质的电动现象。通过在靠近带电单体的 MPCD 粒子上应用德拜-休克尔近似来赋予有效电荷,我们的模拟能够再现最短聚合物长度下电泳迁移率随聚合度的快速上升,然后对于较长的聚合物由于电荷凝聚而略有下降。此外,这些模拟表明了有限德拜长度在准确确定均匀带电聚电解质和净中性聚两性电解质的迁移率方面的重要性。

相似文献

1
Simulations of free-solution electrophoresis of polyelectrolytes with a finite Debye length using the Debye-Hückel approximation.使用德拜-休克尔近似模拟有限德拜长度下的聚电解质的自由溶液电泳。
Phys Rev Lett. 2012 Aug 31;109(9):098302. doi: 10.1103/PhysRevLett.109.098302. Epub 2012 Aug 28.
2
Implicit method for simulating electrohydrodynamics of polyelectrolytes.用于模拟聚电解质电动流体动力学的隐式方法。
Phys Rev Lett. 2010 Oct 1;105(14):148301. doi: 10.1103/PhysRevLett.105.148301. Epub 2010 Sep 29.
3
Electrophoretic Mobility of Polyelectrolytes within a Confining Well.受限阱内聚电解质的电泳迁移率。
ACS Macro Lett. 2015 Apr 21;4(4):472-476. doi: 10.1021/acsmacrolett.5b00076. Epub 2015 Apr 13.
4
Conformational properties of block-polyampholytes adsorbed on charged cylindrical surfaces.吸附在带电圆柱形表面的嵌段聚两性电解质的构象性质。
Eur Phys J E Soft Matter. 2017 Mar;40(3):33. doi: 10.1140/epje/i2017-11525-5. Epub 2017 Mar 27.
5
From small charged molecules to oligomers: a semiempirical approach to the modeling of actual mobility in free solution.从小带电分子到寡聚物:一种用于模拟自由溶液中实际迁移率的半经验方法。
Electrophoresis. 2000 May;21(8):1493-504. doi: 10.1002/(SICI)1522-2683(20000501)21:8<1493::AID-ELPS1493>3.0.CO;2-E.
6
Mesoscale hydrodynamic simulation of short polyelectrolytes in electric fields.短链聚电解质在电场中的介观流体动力学模拟
J Chem Phys. 2009 Dec 21;131(23):234905. doi: 10.1063/1.3274681.
7
Counterion condensation and shape within Poisson-Boltzmann theory.反离子凝聚和泊松-玻尔兹曼理论中的形状。
Biopolymers. 2010 Jul;93(7):619-39. doi: 10.1002/bip.21421.
8
Adsorption of polyelectrolytes onto oppositely charged cylindrical macroions.聚电解质在带相反电荷的圆柱状大离子上的吸附。
J Chem Phys. 2013 Jun 28;138(24):244909. doi: 10.1063/1.4811842.
9
Complexation of oppositely charged polyelectrolytes: effect of discrete charge distribution along the chain.带相反电荷的聚电解质的络合作用:沿链的离散电荷分布的影响。
Phys Rev E Stat Nonlin Soft Matter Phys. 2010 Apr;81(4 Pt 1):041802. doi: 10.1103/PhysRevE.81.041802. Epub 2010 Apr 14.
10
Lattice-Boltzmann simulations of the electrophoretic stretching of polyelectrolytes: the importance of hydrodynamic interactions.聚电解质电泳拉伸的格子玻尔兹曼模拟:流体动力学相互作用的重要性。
J Chem Phys. 2014 Apr 28;140(16):164904. doi: 10.1063/1.4872366.

引用本文的文献

1
Conformational Transition of Semiflexible Ring Polyelectrolyte in Tetravalent Salt Solutions: A Simple Numerical Modeling without the Effect of Twisting.四价盐溶液中环型柔高分子的构象转变:一种无需考虑扭曲效应的简单数值模拟
Int J Mol Sci. 2024 Jul 29;25(15):8268. doi: 10.3390/ijms25158268.
2
Lock-key microfluidics: simulating nematic colloid advection along wavy-walled channels.锁钥微流体学:模拟向列型胶体沿波浪壁通道的平流
Soft Matter. 2024 May 15;20(19):3954-3970. doi: 10.1039/d3sm01536j.
3
Mesoscopic simulations of active nematics.
活性向列相的介观模拟。
Sci Adv. 2022 Aug 26;8(34):eabo5788. doi: 10.1126/sciadv.abo5788. Epub 2022 Aug 24.
4
Theoretical and Computational Insight into Solvent and Specific Ion Effects for Polyelectrolytes: The Importance of Local Molecular Interactions.溶剂和特定离子对聚电解质影响的理论和计算洞察:局部分子相互作用的重要性。
Molecules. 2020 Apr 3;25(7):1661. doi: 10.3390/molecules25071661.