Covalent adaptable networks (CANs) can be classified into dissociative (Diss-CANs) and associative (Asso-CANs) according to the exchange mechanism of covalent bonds. We simulate reaction by hybrid Monte Carlo–molecular dynamics (hybrid MC/MD) algorithm, aiming discover connection difference between Diss-CANs Asso-CANs in viscoelasticity behavior. In linear regime, a major originating from cross-linking density is reflected pre-exponential factor τs0 characteristic relaxation time τs. For...

Using a real space implementation of the self-consistent field theory for polymeric system, we explore microphases ABC linear triblock copolymers. For sake numerical tractability, calculation is carried out in two-dimensional (2D) space. Seven are found to be stable copolymer 2D, which include lamellae, hexagonal lattice, core-shell tetragonal lamellae with beads inside, at interface, and phase interface. By systematically varying composition, triangle diagrams constructed four classes...

In this paper, titanium-bearing blast furnace slags (CaO–SiO2–TiO2) produced at Panzhihua Iron and Steel Company (P. R. China) is used as the base material to develop fluoride-free (F-free) mold powders improve heat transfer between strand. Effects of binary basicity (CaO/SiO2), TiO2, Na2O, Li2O, MgO, MnO B2O3 on melting temperature, viscosity flux F-free are investigated. The laboratory results indicate that 1) temperature powder decrease, expected, with increasing content Na2O...

The distinctive rheological behavior of associative polymers (APs) is commonly attributed to the supramolecular interactions between stickers, where transient bonds are continually forming and breaking. This ongoing disruption reconstruction significantly extend terminal relaxation time, endowing APs with properties similar those entangled polymers. Based on fundamental sticky Rouse model (SRM), can be understood as a result combination strand motion interactions. However, this explanation...

Microphases and triangle phase diagrams of ABC star triblock copolymers are investigated on the basis a real-space implementation self-consistent field theory (SCFT) for polymers. For sake numerical tractability, calculations carried out in two dimensions (2D). Nine stable microphases uncovered, including hexagonal lattice, core−shell lamellae, lamellae with beads at interface as well variety complex morphologies that absent linear triblocks, such "three-color" honeycomb phase, knitting...

To design suitable mold fluxes for the casting of high‐Al steels, structure based on CaO–SiO 2 , –Al O 3 and CaO–Al was examined by Raman spectroscopy magic‐angle spinning nuclear magnetic resonance. The results showed that Si atoms are replaced Al as network formers with increase in fluxes. This converts silicate slags (CaO–SiO fluxes) into aluminosilicates or fluxes). F − ions flux containing classified three categories, according to function: Bridging F's, Nonbridging Free‐F's. 3+ ion...

In recent years, the migration and distribution of microplastics (MPs) in natural environment have garnered worldwide attention. However, little is known about transport intercept MPs infiltration systems. systems, could affect flow through porous media, leading to complex removal dynamics various engineering applications. This will threaten ecosystem human health due characteristics MPs. this study, a two-dimensional media cell was developed visualize microplastic particles media....

We explore phase separation on spherical surfaces by solving the Cahn-Hilliard equation modified for diblock copolymers using a finite volume method. The surface is discretized into almost uniform triangles employing successive dyadic refinements of icosahedron, methodology that avoids potential mathematical and numerical problems related to poles in coordinates. method based averaging Voronoi cells built from triangular meshes calculate Laplace-Beltrami operator curved surface, which...

Transformation induced plasticity steel with a high content of Al (Al-TRIP) is an advanced strength steel. The reaction between and SiO2 would lead to compositional changes in mould fluxes, which results decrease increase Al2O3 content, influences the physical properties molten fluxes. In present study, viscosities series fluxes different additives addition amounts were examined by rotating viscometer crystals D analysed scanning electron microscopy X-ray diffraction. show that (a)...

The phase behavior of semiflexible-coil diblock copolymer melts is studied by solving the self-consistent field theory (SCFT) equations wormlike chains. Significant improvement numerical accuracy and stability achieved a hybrid implementation SCFT, in which space-dependent functions are treated using spectral method orientation-dependent discretized on unit sphere (3D Euclidean space) with an icosahedron triangular mesh. angular Laplacian solved real-space finite volume algorithm. Phase...

A new real-space numerical implementation of the self-consistent field theory for semiflexible polymers is developed. Specifically, a finite volume algorithm on unit sphere with an icosahedron triangular mesh employed to describe orientation degree freedom wormlike chains. The validity method analyzed by comparing results from spectral method. As concrete example, applied self-assembly rod−coil diblock copolymers within framework Onsager excluded-volume interaction. variety liquid...

The reaction between [Al] and SiO2 leads to compositional changes in mould fluxes during continuous casting of high Al steel. These result the decrease increase Al2O3 contents, as well rapid basicity [w(CaO)/w(SiO2)] fluxes. slag rim is developed excessively such that cannot infiltrate into gap strand. In this study, therefore, non-reactive were designed, effect Na2O on crystallisation heat transfer these was investigated via single hot thermocouple technique, flux simulation scanning...

We report in this article a systematic study on the effect of overall grafting density (σoverall) microphase separation mixed poly(tert-butyl acrylate) (PtBA)/polystyrene (PS) brushes synthesized from asymmetric difunctional initiator (Y-initiator)-functionalized silica particles. The particles were made by immobilization triethoxysilane-terminated Y-initiator surface 173 nm via an ammonia-catalyzed hydrolysis/condensation process ethanol. Mixed PtBA/PS then grown surface-initiated atom...

We report a systematic study on the effect of molecular weight (MW) microphase separation mixed poly(tert-butyl acrylate) (PtBA)/polystyrene (PS) brushes grafted 172 nm silica particles. The were synthesized by sequential surface-initiated atom transfer radical polymerization (ATRP) tBA at 75 °C and nitroxide-mediated (NMRP) styrene 120 from particles functionalized with an asymmetric difunctional initiator bearing ATRP NMRP alkoxyamine. MWs two polymers in each sample controlled to be...

Abstract Cocrystallization involving two or more components aggregating into cocrystals allows the preparation of materials with markedly improved charge mobility. This approach however, is little explored in all‐conjugated block copolymers (BCPs). Herein, we report first investigation correlation between and mobility a series new BCPs: poly(3‐butylthiophene)‐b‐poly(3‐hexylselenophene) (P3BT‐ b ‐P3HS) for high‐performance field‐effect transistors. These rationally synthesized rod–rod BCPs...

Polymers bearing associative groups can exhibit fascinating rheological behaviors. A modified version of the Rouse model, which is originally used in block copolymers and called sticky model here, proposed to describe linear viscoelasticity (LVE) this kind polymers without effect entanglement. By replacing lifetime a transient bond by effective friction on stickers, calculation LVE functions turned into eigenvalue problem Rouse–Zimm (RZ) matrix. The results show that only two parameters,...

The self-assembled morphologies of amphiphilic ABC star triblock copolymers consisting hydrophilic A blocks and hydrophobic B C the blends with their counterpart linear AB diblock in solution are investigated by 2D real-space implementation self-consistent field theory (SCFT) simulation. self-assemble to form various micellar structures from hamburger, segmented wormlike, toroidal micelles, finally vesicles simultaneously increasing lengths C. When length is asymmetric, specific...

Mixed poly(tert-butyl acrylate) (PtBA)/polystyrene (PS) brushes with controlled molecular weights and narrow polydispersities were synthesized from asymmetric difunctional initiator (Y-initiator)-functionalized 67 nm silica nanoparticles by sequential surface-initiated atom transfer radical polymerization of tBA at 75 °C nitroxide-mediated styrene 120 in the presence a free each polymerization. The Y-initiator-functionalized prepared immobilization triethoxysilane-terminated Y-initiator onto...

The phase behavior of rod-coil diblock copolymers is investigated in a two-dimensional positional space by using self-consistent field theory (SCFT) based on wormlike chain model. segment orientation defined unit spherical surface three-dimensional with an icosahedron triangular mesh and finite volume algorithm borrowed to numerically solve the Laplacian sphere. By taking advantage 2D calculation, diagram including isotropic, nematic, smectic-A, smectic-C further appended non-lamellar...