Granular chain escape from a pore in a wall in the presence of particles on one side: a comparison to polymer translocation

Soft Matter ◽  
2018 ◽  
Vol 14 (26) ◽  
pp. 5420-5427 ◽  
Author(s):  
Fereshteh Samadi Taheri ◽  
Hossein Fazli ◽  
Masao Doi ◽  
Mehdi Habibi
Keyword(s):  
Escape Behavior ◽  
Chain Polymer ◽  
Granular Chain ◽  
Nano Scale ◽  
Macro Scale ◽  
Polymer Translocation ◽  
Scale Experiment ◽  
A Chain

Macro-scale experiment and nano-scale simulation of a chain/polymer show the same escape behavior through the pore in the wall in the presence of particles.

Identifying Product Scaling Principles: A Tool for Bioinspired Design and Beyond

2011 ◽  
Author(s):  
Angel G. Perez ◽  
Julie S. Linsey
Keyword(s):  
Scaling Laws ◽  
Initial Step ◽  
Nano Scale ◽  
Bioinspired Design ◽  
Macro Scale ◽  
Design By Analogy ◽  
Global Principles ◽  
Physical Principles

There are countless products that perform the same function but are engineered to suit a different scale. Designers are often faced with the problem of taking a solution at one scale and mapping it to another. This frequently happens with design-by-analogy and bioinspired design. Despite various scaling laws for specific systems, there are no global principles for scaling systems, for example from a biological nano-scale to macro-scale. This is likely one of the reasons bioinspired design is difficult. Very often scaling laws assume the same physical principles are being used, but this study of products indicates that a variety of changes occur as scale changes, including changing the physical principles to meet a particular function. Empirical product research was used to determine a set of principles by observing and understanding numerous products to unearth new generalizations. The function a product performs is examined in various scales to view subtle and blatant differences. Principles are then determined. This study provides an initial step in creating new innovative designs based on existing solutions in nature or other products that occur at very different scales. Much further work is needed by studying additional products and bioinspired examples.

Realization of Mechanical Properties Prediction from Nano- to Macro- Scale Structure: An Achievement of C-S-H Hydrated Phases

2019 ◽  
Vol 956 ◽  
pp. 332-341 ◽  
Author(s):  
Jia Fu
Keyword(s):  
Mechanical Properties ◽  
High Density ◽  
Theoretical Research ◽  
Step Method ◽  
Material Technology ◽  
Micro Scale ◽  
Nano Scale ◽  
Macro Scale ◽  
Mechanical Properties Prediction ◽  
Technology Modeling

The performance prediction of C-S-H gel is critical to the theoretical research of cement-based materials. In the light of recent computational material technology, modeling from nano-scale to micro-scale to predict mechanical properties of structure has become research hotspots. This paper aims to find the inter-linkages between the monolithic "glouble" C-S-H at nano-scale and the low/high density C-S-H at the micro-scale by step to step method, and to find a reliable experimental verification method. Above all, the basic structure of tobermorite and the "glouble" C-S-H model at nano-scale are discussed. At this scale, a "glouble" C-S-H structure of about 5.5 nm3 was established based on the 11Å tobermorite crystal, and the elastic modulus ​​of the isotropic "glouble" is obtained by simulation. Besides, by considering the effect of porosity on the low/high density of the gel morphology, the C-S-H phase at micro-scale can be reversely characterized by the "glouble". By setting different porosities and using Self-Consistent and Mori-Tanaka schemes, elastic moduli of the low density and high density C-S-H ​​from that of "glouble" are predicted, which are used to compare with the experimental values of the outer and inner C-S-H. Moreover, the nanoindentation simulation is carried out, where the simulated P-h curve is in good agreement with the accurate experimental curve in nanoindentation experiment by the regional indentation technique(RET), thus the rationality of the "glouble" structure modeled is verified and the feasibility of Jennings model is proved. Finally, the studies from the obtained ideal "glouble" model to the C-S-H phase performance has realized the mechanical properties prediction of the C-S-H structure from nano-scale to micro-scale, which has great theoretical significance for the C-S-H structural strengthening research.

Wechselwirkungen in Molekülkristallen, 156 [1, 2]. Kristallzüchtung und Strukturbestimmung von (Imidodiphosphat)-Alkalisalzen mit Kationen niedriger und hoher Koordinationszahlen / Interaction in Molecular Crystals, 156 [1, 2]. Crystal Growth and Structure Determination of Alkali(imidodiphosphate) Salts with Cations of Low and High Coordination Numbers

2000 ◽  
Vol 55 (9) ◽  
pp. 773-784 ◽  
Author(s):  
Hans Bock ◽  
Erik Heigel ◽  
Norbert Nagel
Keyword(s):  
Crystal Growth ◽  
Coordination Number ◽  
Molecular Crystals ◽  
Chelating Ligands ◽  
Chain Polymer ◽  
Coordination Numbers ◽  
Structural Differences ◽  
A Chain ◽  
High Coordination

Imidodiphosphates ⊖N[PO(OR)2]2 and Imidodiphosphonates ⊖N[POR2]2 are effective chelating ligands for a variety of metal cations including even Na⊕, for which a lipophilically wrapped hexameric polyion cluster has been structurally characterized. The corresponding hexameric lithium and polyrubidium ion complexes reported here exhibit considerable structural differences: The rather small Li⊕ cations of coordination number five and tetraphenylimidodiphosphate form an isolated hexameric aggregate analogous to the Na⊕ one, whereas the larger Rb⊕ with coordination number seven and (3,4-dimethylphenyl)substituents crystallizes as a chain polymer. Based on the crystal structures, the dominant Coulomb attractions between cations and anions, the spatial requirement of the ligands and the essential phenyl/phenyl interactions in their lipophilic skin are discussed

Supramolecular self-assembly in triphenyllead(IV) dimethylphosphinodithioate, x1[Ph3PbS2PMe2], a chain polymer built through intermolecular Pb … S secondary bonds

Polyhedron ◽  
1998 ◽  
Vol 17 (11-12) ◽  
pp. 2043-2047 ◽  
Author(s):  
Frank T. Edelmann ◽  
Ionel Haiduc ◽  
Cristian Silvestru ◽  
Hans-Georg Schmidt ◽  
Mathias Noltemeyer
Keyword(s):  
Self Assembly ◽  
Chain Polymer ◽  
Secondary Bonds ◽  
A Chain

Adsorption of a Chain Polymer between Two Plates

1971 ◽  
Vol 55 (9) ◽  
pp. 4318-4336 ◽  
Author(s):  
E. A. DiMarzio ◽  
R. J. Rubin
Keyword(s):  
Chain Polymer ◽  
A Chain

3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials

2017 ◽  
Vol 73 (5) ◽  
pp. 981-991 ◽  
Author(s):  
Khai-Nghi Truong ◽  
Carina Merkens ◽  
Ulli Englert
Keyword(s):  
Building Blocks ◽  
Complex Materials ◽  
Chain Polymer ◽  
Donor Ligand ◽  
One Dimensional ◽  
Pyridine Ligands ◽  
Bromide Derivative ◽  
Metal Products ◽  
A Chain ◽  
Cation Ratio

The ditopic organic molecule 3-(pyridin-4-yl)acetylacetone (HacacPy) acts as a pyridine-type ligand towards HgX2(X= Cl, Br, I). The nature of the anion and the ligand-to-cation ratio dominate the outcome of the reaction. Two different coordination compounds form with HgCl2, namely a ligand-rich mononuclear complex, HgCl2(HacacPy)2, and a ligand-deficient one-dimensional chain polymer, [Hg(μ-Cl)2(HacacPy)]1∞, with five-coordinated HgIIcations. Two compounds are also observed for HgBr2, a molecular complex isomorphous to the chloride derivative and a chain polymer with the composition [Hg(μ-Br)Br(HacacPy)]1∞, in which the cations are four-coordinated. The ligand-rich mononuclear and ligand-deficient polymeric chloride and bromide complexes may be interconvertedviathermal degradation and mechanochemical synthesis. In contrast to the chloride and bromide compounds, the reaction product with HgI2does not depend on the ligand-to-cation ratio but corresponds to [Hg(μ-I)I(HacacPy)]1∞, isomorphous to the bromide derivative. TheN-coordinated HacacPy complexes could not be deprotonated and further crosslinked with a second cation. Synthesis of mixed-metal products could be achieved, however, by deprotonation of the acetylacetone moiety in HacacPy and formation of tris-chelated Fe(acacPy)3and Al(acacPy)3complexes in the first step. These mononuclear building blocks act as bridging poly(pyridine) ligands towards HgIIhalides and form two structure types. The first represents a one-dimensional ladder, with the tris(ligand) complexes acting as triconnected nodes and the HgIIhalides acting as linkers. In the alternative unprecedented product, both the tris(ligand) complexes and the [HgX2(μ-X)HgX] groups act as equivalent triconnected nodes. They form a uninodal two-dimensional coordination network with vertex symbol 4.82andfestopology.

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