Homogeneous nucleation of sheared liquids: advances and insights from simulations and theory
文献情報
Amrita Goswami, Jayant K. Singh
One of the most ubiquitous and technologically important phenomena in nature is the nucleation of homogeneous flowing systems. The microscopic effects of shear on a nucleating system are still imperfectly understood, although in recent years a consistent picture has emerged. The opposing effects of shear can be split into two major contributions for simple atomic and molecular liquids: increase of the energetic cost of nucleation, and enhancement of the kinetics. In this perspective, we describe the latest computational and theoretical techniques which have been developed over the past two decades. We collate and unify the overarching influences of shear, temperature, and supersaturation on the process of homogeneous nucleation. Experimental techniques and capabilities are discussed, against the backdrop of results from simulations and theory. Although we primarily focus on simple systems, we also touch upon the sheared nucleation of more complex systems, including glasses and polymer melts. We speculate on the promising directions and possible advances that could come to fruition in the future.
関連文献
Charge generation in polymer–fullerene bulk-heterojunction solar cells
Feng Gao, Olle Inganäs
DOI: 10.1039/C4CP01814A
The Raman spectrum of isolated water clusters
Katharina E. Otto, Zhifeng Xue, Philipp Zielke, Martin A. Suhm
DOI: 10.1039/C3CP54272F
Dispersion corrected DFT approaches for anharmonic vibrational frequency calculations: nucleobases and their dimers
Teresa Fornaro, Malgorzata Biczysko, Vincenzo Barone
DOI: 10.1039/C3CP54724H
Structural instabilities and wrinkles at the grain boundaries in 2-D h-BN: a first-principles analysis
Anjali Singh, Umesh V. Waghmare
DOI: 10.1039/C4CP02267J
A DFT study on the reaction mechanism of dimerization of methyl methacrylate catalyzed by N-heterocyclic carbene
Yunxia Li, Yanyan Zhu, Wenjing Zhang, Donghui Wei, Yingying Ran, Qilin Zhao, Mingsheng Tang
DOI: 10.1039/C4CP02186J
Geometric and electronic properties of graphene modified by “external” N-containing groups
Xinde Wang, Qiuxia Cai, Guilin Zhuang, Xing Zhong, Donghai Mei, Xiaonian Li, Jianguo Wang
DOI: 10.1039/C4CP03069A
Correction: Crystal structure and microstructural changes of molybdenum nitrides traced during catalytic reaction by in situ X-ray diffraction studies
Valeria Tagliazucca, Matteo Leoni, Claudia Weidenthaler
DOI: 10.1039/C4CP90131B
Towards the ionic limit of two-dimensional materials: monolayer alkaline earth and transition metal halides
Shi-Hsin Lin, Jer-Lai Kuo
DOI: 10.1039/C4CP02048K
こちらもおすすめ
6-(三氟甲基)喹啉二甲酸とは何ですか?
6-(三氟甲基)喹啉二甲酸は、CAS番号849818-58-2の化合物です。これは6位に三氟甲基が置換された2-quinolinecarboxylic酸と呼ばれ...
tert-butyl 4-ヒドロキシ-4-メチルázepane-1-カーボキセイランを含む廃棄物はどのように処理すべきですか?
この化合物の廃棄物は、適切な容器で密封し、避光し、低温かつ乾燥した環境で保管してください。処理には専門の廃棄処理会社のサービスを活用するか、地元の環境保護法に従...
TIPAを取り扱う際の実験室安全事項は何ですか?
TIPAは揮発性が低く、毒性は低いですが、操作中の注意が必要です。PPE(個人防護具)を着用し、ドラフトチャンバー内で取り扱い、漏洩した場合は即座にSDS(安全...
3-甲硫基苯硼酸频呐酯とは何ですか?
3-甲硫基苯硼酸频呐酯は、CAS番号710348-63-3の化合物で、化学式はC14H19BO2Sです。これは2-[3-(メチルサルファニル)フェニル]-4,4...
N-[2-(二甲氨基)乙基]-N-甲基甲酰胺は安全ですか?
N-[2-(二甲氨基)乙基]-N-甲基甲酰胺は安全ではありません。吸入、皮膚接触、目接触は避けてください。稀な過剰反応やアレルギー反応がある可能性があります。適...
甲基丙烯酸甲瓦龙酸内酯とは何ですか?
CAS番号177080-66-9の化合物、4-メチル-2-オキトテトラヒドロ-2H-ピラノ-4-イルメタクリレートは、甲基丙烯酸の一種です。この化合物は透明な液...
2-メチルフェンチアルデヒドを取り扱う際の実験室安全事項は何ですか?
2-メチルフェンチアルデヒドは易燃物質であり、火気の使用や高温に注意が必要です。PPE(個人保護具)として、ゴーグルや手袋を使用し、ドラフトチャンバーを使用して...
2,4,6-三氯-5-氟嘧啶はどの業界で使用されていますか?
2,4,6-三氯-5-氟嘧啶は医薬品産業で広く使用されており、抗真菌薬や抗ウイルス薬の前駆体として機能します。また、高次元材料やセンサー技術の分野でも応用されて...
(S)-2-((叔丁氧基羰基)氨基)-3-(((2-苯基乙酰胺基)甲基)硫基)丙酸とは何ですか?
CAS番号57084-73-8の(S)-2-((叔丁氧基羰基)氨基)-3-(((2-苯基乙酰胺基)甲基)硫基)丙酸は、特定の構造を持つ無機化合物で、主に医薬品や...
掲載誌
Physical Chemistry Chemical Physics

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.













![2-[1-(4-Chlorobenzyl)-1H-indol-3-yl]-2-oxo-N-(6-quinolinyl)acetamide structure 2-[1-(4-Chlorobenzyl)-1H-indol-3-yl]-2-oxo-N-(6-quinolinyl)acetamide structure](https://static.chemtradehub.com/structs/501/501921-61-5-756a.webp)
![[3-Formyl-5-(trifluoromethoxy)phenyl]boronic acid structure [3-Formyl-5-(trifluoromethoxy)phenyl]boronic acid structure](https://static.chemtradehub.com/structs/145/1451393-39-7-aebb.webp)