Dynamical properties of two- and three-dimensional colloidal clusters of six particles
Literature Information
B. Fačkovec, J. W. R. Morgan, D. J. Wales
Colloidal clusters are important systems for studying self-assembly. Clusters of six colloidal particles attracting each other via short-ranged interactions have been recently studied both theoretically and experimentally. Here we present a computer modelling study of the thermodynamics and dynamics of these clusters using a short-ranged Morse potential in two and three dimensions. We combine energy landscape methods with comprehensive sampling, both of configurations using Markov chain Monte Carlo and also of trajectories using Langevin molecular dynamics propagation. We show that the interaction energies between the particles are probably greater than previously assumed. The rates predicted by transition state theory using harmonic vibrational densities of states are off by four orders of magnitude, since the effects of viscosity are not accounted for. In contrast, sampling short trajectories using an appropriate friction constant and discrete relaxation path sampling produces reasonable agreement with the experimental rates.
Recommended Journals
Related Literature
Molecular interactions of organic molecules at the air/water interface investigated by sum frequency generation vibrational spectroscopy
DOI: 10.1039/C6CP07827C
A tailored multi-frequency EPR approach to accurately determine the magnetic resonance parameters of dynamic nuclear polarization agents: application to AMUPol
P. Gast, D. Mance, E. Zurlo, M. Baldus, M. Huber
DOI: 10.1039/C6CP05864G
Investigations on Zr incorporation into Li3V2(PO4)3/C cathode materials for lithium ion batteries
Hua-Bin Sun, Ying-Xian Zhou, Lu-Lu Zhang, Xue-Lin Yang, Xing-Zhong Cao, Hanu Arave, Hui Fang, Gan Liang
DOI: 10.1039/C6CP07760A
The crucial role of Mn spiral spin order in stabilizing the Dy–Mn exchange striction in multiferroic DyMnO3
H. W. Wang, C. L. Li, S. L. Yuan, J. F. Wang, C. L. Lu, J.-M. Liu
DOI: 10.1039/C6CP06369A
Role of polar side chains in Li+ coordination and transport properties of polyoxetane-based polymer electrolytes
Ryansu Sai, Kazuhide Ueno, Kenta Fujii, Yohei Nakano, Naho Shigaki, Hiromori Tsutsumi
DOI: 10.1039/C6CP08386B
Mechanistic insights into CO2 reduction on Cu/Mo-loaded two-dimensional g-C3N4(001)
Penghui Li, Fang Wang, Shiqian Wei, Xinyu Li
DOI: 10.1039/C6CP08409E
Graphene-modulated photo-absorption in adsorbed azobenzene monolayers
DOI: 10.1039/C6CP06939H
An insight into the communication between β-olefin/phenyl olefin-mediated acceptors and porphyrin π-system: a way to establish porphyrin based chemodosimeters and chemosensors
Mandeep K. Chahal, Muniappan Sankar, Ray J. Butcher
DOI: 10.1039/C6CP08396J
You might also like
What precautions should be taken when handling 4-(2-Furylmethyl)thiomorpholine 1,1-dioxide (CAS: 79206-94-3)?
When handling 4-(2-Furylmethyl)thiomorpholine 1,1-dioxide (CAS: 79206-94-3), it ...
What precautions should be taken when handling 4-Chloro-N-[2-(4-morpholinyl)ethyl]benzamide (CAS: 71320-77-9)?
When handling 4-Chloro-N-[2-(4-morpholinyl)ethyl]benzamide (CAS: 71320-77-9), it...
How should waste containing 2-[2-(2-Methoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate (CAS: 62921-74-8) be handled?
Waste containing this compound (CAS: 62921-74-8) should be handled according to ...
How should waste containing (S)-Methyl 2-amino-3-cyclohexylpropanoate be handled?
Waste containing (S)-Methyl 2-amino-3-cyclohexylpropanoate should be collected i...
How is 5-({4-[(2S,4R)-4-Hydroxy-2-methyltetrahydro-2H-pyran-4-yl]-2-thienyl}sulfanyl)-1-methyl-1,3-dihydro-2H-indol-2-one (CAS: 166882-70-8) typically synthesized?
This compound can be synthesized using a multi-step process involving the conjug...
Are there alternatives to (2E)-3-(3,4-Dichlorophenyl)acrylic acid (CAS: 7312-27-8) in synthesis?
There are several alternatives to (2E)-3-(3,4-Dichlorophenyl)acrylic acid in syn...
How should Ethyl 6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate (CAS: 925437-84-9) be stored?
Ethyl 6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate (CAS: 925437-84...
How should waste containing 2-(1,3-Thiazol-2-yl)ethanamine (CAS: 18453-07-1) be handled?
Waste containing 2-(1,3-Thiazol-2-yl)ethanamine (CAS: 18453-07-1) should be coll...
How is Methyl 5-iodo-2-methylbenzoate (CAS: 103440-54-6) typically synthesized?
Methyl 5-iodo-2-methylbenzoate can be synthesized through the iodination of meth...
How is 5-Chloro[1,2,4]triazolo[1,5-a]pyridine (CAS: 1427399-34-5) typically synthesized?
5-Chloro[1,2,4]triazolo[1,5-a]pyridine is commonly synthesized via the condensat...
Source Journal
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.











![[4-(Heptyloxy)phenyl]boronic acid structure [4-(Heptyloxy)phenyl]boronic acid structure](https://static.chemtradehub.com/structs/136/136370-19-9-ad33.webp)
![4-{2-[4-(2-Methyl-2-propanyl)phenyl]ethoxy}quinazoline structure 4-{2-[4-(2-Methyl-2-propanyl)phenyl]ethoxy}quinazoline structure](https://static.chemtradehub.com/structs/120/120928-09-8-d3db.webp)

