Water-mediated aggregation of 2-butoxyethanol

文献信息

发布日期 2016-08-25
DOI 10.1039/C6CP04379H
影响因子 3.676
作者

Shannon R. Pattenaude, Kenji Mochizuki, Dor Ben-Amotz


查看原文

摘要

Water plays an important role in mediating hydrophobic interactions, and yet open questions remain regarding the magnitude, and even the sign, of water-mediated contributions to the potential of mean force between a pair of oily molecules dissolved in water. Here, the water-mediated interaction between 2-butoxyethanol (BE) molecules dissolved in water is quantified using Raman multivariate curve resolution (Raman-MCR), molecular dynamics (MD) simulations, and random mixing (RM) predictions. Our results indicate that the number of contacts between BE molecules at concentrations between 0.2 M and 1 M exceeds RM predictions, but is less than some MD predictions. Moreover, the potential of mean force between BE molecules in water has a well depth that is shallower than the direct interaction between 1-ethoxybutane chains in the gas phase, and thus the water-mediated contribution to BE aggregation is repulsive, as it pulls BE molecules apart rather than pushing them together.

相关文献

Intramolecular base-accelerated radical-scavenging reaction of a planar catechin derivative bearing a lysine moiety

Kiyoshi Fukuhara, Kei Ohkubo, Yoshinori Obara, Ayako Tada, Kohei Imai, Akiko Ohno, Asao Nakamura, Shiro Urano, Shinichi Saito, Shunichi Fukuzumi, Kazunori Anzai, Haruhiro Okuda

2009-09-14 Communication

DOI: 10.1039/B913714A

Variable length ligands: a new class of bridging ligands for supramolecular chemistry and crystal engineering

Martin B. Duriska, Suzanne M. Neville, Stuart R. Batten

2009-08-24 Communication

DOI: 10.1039/B910994C

Simple mixed Fe–Zn catalysts for the Suzuki couplings of tetraarylborates with benzyl halides and 2-halopyridines

Robin B. Bedford, Mark A. Hall, George R. Hodges, Michael Huwe, Mark C. Wilkinson

2009-09-28 Communication

DOI: 10.1039/B915945B

Reversible uptake of HgCl2 in a porous coordination polymer based on the dual functions of carboxylate and thioether

Xiao-Ping Zhou, Zhengtao Xu, Matthias Zeller, Allen D. Hunter

2009-08-05 Communication

DOI: 10.1039/B910265E

Synthesis of small polymeric nanoparticles sized below 10 nm viapolymerization of a cross-linker in a glassy polymer matrix

Kaka Zhang, Zhou Gui, Daoyong Chen, Ming Jiang

2009-09-02 Communication

DOI: 10.1039/B911574A

Dialysis process for the removal of surfactants to form colloidal mesoporous silica nanoparticles

Chihiro Urata, Yuko Aoyama, Akihisa Tonegawa, Kazuyuki Kuroda

2009-07-29 Communication

DOI: 10.1039/B908625K

Renewable resource-based poly(dodecyloate) by carbonylation polymerization

Dorothee Quinzler, Stefan Mecking

2009-08-14 Communication

DOI: 10.1039/B912294J

Back matter

Front/Back Matter

DOI: 10.1039/B920317F

您可能还喜欢

化合物问答

什么是2,6-二溴-4,8-双[(2-乙基己基)氧基]苯并[1,2-b:4,5-b']二噻吩(CAS号:1226782-13-3)?

2,6-二溴-4,8-双[(2-乙基己基)氧基]苯并[1,2-b:4,5-b']二噻吩是一种有机化合物,分子式为C23H32Br2O2S2。该化合物具有芳香性和...

1226782-13-32,6-Dibromo-4,8-bis[...
化合物问答

木聚硫钠(CAS号:37319-17-8)的物理化学性质是什么?

木聚硫钠通常为无色或白色结晶性粉末,具有吸湿性。其分子量约为121.11 g/mol。木聚硫钠易溶于水,不溶于醇类和其他非极性溶剂。在酸性或碱性溶液中,木聚硫钠...

37319-17-8Pentosan
化合物问答

2-甲氧基-4-(三氟甲基)苄溴, JRD(CAS号:886500-59-0)适用哪些法规指南?

该化合物在合成、储存和运输过程中需遵循《全球化学品统一分类和标签制度》(GHS)的健康、环境和物理危险分类。在欧洲还需符合《化学品注册、评估、授权和限制》(RE...

886500-59-02-Methoxy-4-(trifluo...
化合物问答

1,4-Diazoniabicyclo[2.2.2]octane-1,4-disulfinate(CAS号:119752-83-9)的主要用途是什么?

1,4-二氮杂双环[2.2.2]辛烷-1,4-二硫酸二酯主要用于有机合成中的保护基团,特别是在保护胺基和硫醇基方面具有广泛应用。此外,它还用于一些特殊化学反应的...

119752-83-91,4-Diazabicyclo[2.2...
化合物问答

如何处理含有4-(Bromomethyl)-2-fluorobenzenesulphonamide(CAS号:1645275-47-3)的废料?

含有4-(Bromomethyl)-2-fluorobenzenesulphonamide的废液应首先进行中和处理,以降低pH值,避免对环境造成腐蚀性影响。随后...

1645275-47-34-(Bromomethyl)-2-fl...
化合物问答

Loureiriol(CAS号:479195-44-3)的物理化学性质是什么?

Loureiriol是一种天然化合物,其分子式为C15H22O4。Loureiriol为无色结晶性粉末,具有较高的熔点和良好的热稳定性。其相对分子质量为262....

479195-44-3Loureiriol
化合物问答

在合成中是否有3-氨基苯甲酰苯胺(CAS号:14315-16-3)的替代品?

在合成过程中,可以考虑使用类似结构的化合物作为3-氨基苯甲酰苯胺的替代品,例如N-苯基-3-氰基苯胺或N-苯基-3-硝基苯胺等,这些化合物具有相似的化学性质,可...

14315-16-33-Amino-N-phenylbenz...
化合物问答

4-异氰酰苯基硼酸频哪醇酯(CAS号:380430-64-8)的市场或研究趋势如何?

4-异氰酰苯基硼酸频哪醇酯主要应用于有机合成、药物化学和材料科学领域。随着绿色化学的发展,该化合物因其高效的官能团转化能力和环境友好性而受到越来越多的关注。近年...

380430-64-82-(4-Isocyanatopheny...
化合物问答

如何储存3β-乙酰氧基-7,25-甘遂二烯-24(R)-醇(CAS号:1352001-09-2)?

3β-乙酰氧基-7,25-甘遂二烯-24(R)-醇应储存在阴凉、干燥、通风良好的地方,避免直接光照。储存容器应密封,防止空气中的水分和氧气影响化合物的稳定性。建...

1352001-09-23β-acetoxy-eupha- 7,...
化合物问答

如何储存4-氟-2-甲基-1H-吲哚(CAS号:1260383-51-4)?

应将4-氟-2-甲基-1H-吲哚存放在阴凉、干燥、通风良好的地方,避免直接暴露在光照下。容器应密封,避免与空气中的水蒸气接触。建议在避光、温度不超过25℃的环境...

1260383-51-44-Fluoro-2-methyl-1H...

来源期刊

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
自引率: 10.3%
年发文量: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

推荐供应商

免责声明
本页面提供的学术期刊信息仅供参考和研究使用。我们与任何期刊出版商均无关联,也不处理投稿事宜。如有投稿相关咨询,请直接联系相关期刊出版商。
如发现页面信息有误,请发送邮件至 support@chemtradehub.com 联系我们。我们将及时核实并处理您的问题。