Dissipative particle dynamics study on the phase morphologies of the ultrahigh molecular weight polyethylene/polypropylene/poly(ethylene glycol) blends

Gai, Jing‐Gang; Li, Hui-Lin; Schrauwen, Cornelius; Hu, Guohua

doi:10.1016/j.polymer.2008.10.020

Cited by 44 publications

(16 citation statements)

References 49 publications

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“…DPD simulations have been widely applied to study the phase diagrams of blends of PE with other polymers [489][490][491] and PE with nanocomposites [492,493]. These studies focus on the final states as a function of temperature and blend composition, thus the accelerated dynamics of DPD (due to unphysical overlap and crossing of particles) offers an advantage and dynamic properties are not studied at all.…”

Section: Dissipative Particle Dynamics (Dpd)mentioning

confidence: 99%

Predicting experimental results for polyethylene by computer simulation

Ramos

Vega

Martínez‐Salazar

2018

European Polymer Journal

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This feature article reviews several aspects of computational approaches to polyethylene melt and solid state properties in relation to existing experimental results. Based on 40 years of experience in the field, we offer a personal view of how computer simulations are helping to understand the physics of polyethylene as a model polymer. The first issue discussed is the molten state of polyethylene, including static and dynamic properties and entanglement features along with their impacts on rheological behaviour. We then examine the glass transition, crystallization process and solid state structure, including the interlamellar region. This is followed by brief descriptions of the latest advances in simulating mechanical properties and of the various methodologies used to simulate the physics of polyethylene. Throughout the manuscript, references are made to our own work and also to studies by many other authors that have nicely contributed to developments in simulating the physics of polyethylene in close agreement with experimental results.

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Section: Dissipative Particle Dynamics (Dpd)mentioning

confidence: 99%

Predicting experimental results for polyethylene by computer simulation

Ramos

Vega

Martínez‐Salazar

2018

European Polymer Journal

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“…Ultra‐high molecular weight polyethylene (UHMWPE), having a viscosity–average molecular weight larger than 1 × 10 6 g/mol, is featured by excellent wear resistance, high impact strength, and excellent resistance to environmental stress cracking . It is widely used to reinforce polyethylene, polypropylene, and polyamide . Thus, a good understanding of the effect of long molecular chains (i.e., UHMWPE chains) on the final microstructure of the blends can give us a valuable suggestion on how to manipulate a product with desired properties.…”

Section: Introductionmentioning

confidence: 99%

“…Interfacial bonding between a matrix and a reinforced agent is critical to determine the final property of polymer blends . Incorporation of UHMWPE into high‐density polyethylene (HDPE) matrix is a common and efficient method to reinforce the HDPE.…”

Section: Introductionmentioning

confidence: 99%

Effect of entangled state of nascent UHMWPE on structural and mechanical properties of HDPE/UHMWPE blends

Yang

Liu

Zhang

et al. 2017

J of Applied Polymer Sci

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In this study, a synthesized ultra-high molecular weight polyethylene (UHMWPE) with a less entangled state and a commercial UHMWPE with a highly entangled state were blended with high-density polyethylene (HDPE) by melt blending, respectively. Rheology, 2D small-angle X-ray scattering (2D-SAXS), differential scanning calorimetry (DSC), and tensile test were used to study the relationship between the microstructure and the mechanical properties of blends. It was demonstrated that the UHMWPE with the less entangled state was easy to be oriented at a given flow. More mechanical networks were achieved among the HDPE matrix and the UHMWPE chains due to the fewer entanglements of synthesized UHMWPE, improving the melting recovery of blends. Furthermore, notably oriented structures (shish-kebabs) with increased long-periods were made in the blends of weakly entangled UHMWPE and HDPE. The tensile strength of this blend was thus enhanced, i.e., the tensile strength raised for neat HDPE from 45.7 to 83.1 MPa for HDPE/UHMWPE blends containing 10 wt % of less entangled UHMWPE. However, the phase separation of blends was characterized when more weakly entangled UHMWPE was incorporated.

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“…The results indicated that the binding energies on different crystalline surfaces of RDX are different from each other. Gai [18] simulated mesophase formation in binary UHMWPE/ PP and ternary UHMWPE/PP/PEG blends by a dissipative particle dynamics (DPD) simulation method.…”

Section: Introductionmentioning

confidence: 99%

Multiscale Simulation on the Influence of Dimethyl Hydantoin on Mechanical Properties of GAP/RDX Propellants

Lan

Zhai

et al. 2013

Propellants Explo Pyrotec

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The influence of dimethyl hydantoin (DMH) on the mechanical properties of GAP/RDX propellant was studied by molecular dynamics (MD) and dissipative particle dynamics (DPD) simulation. The results showed that the binding energies (Ebinding) between GAP and different surfaces of RDX were in the order of (010)>(001)>(100). Compared to GAP/RDX, GAP grafted with DMH (GAP‐DMH) exhibits higher binding energies with RDX, and the sequence of Ebinding turns to (001)>(010)>(100). Radial distribution simulations demonstrated that GAP‐DMH is more close to the surfaces of RDX, increasing the van der Waals energies between GAP‐DMH and RDX. The stress and strain of GAP‐DMH/RDX excel those of GAP/RDX. DPD simulations showed that GAP‐DMH was able to restrain the agglomeration of RDX, to improve the dispersibility and to enlarge the contact surface with RDX, which also increased the mechanical properties of GAP/RDX propellant.

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Dissipative particle dynamics study on the phase morphologies of the ultrahigh molecular weight polyethylene/polypropylene/poly(ethylene glycol) blends

Cited by 44 publications

References 49 publications

Predicting experimental results for polyethylene by computer simulation

Predicting experimental results for polyethylene by computer simulation

Effect of entangled state of nascent UHMWPE on structural and mechanical properties of HDPE/UHMWPE blends

Multiscale Simulation on the Influence of Dimethyl Hydantoin on Mechanical Properties of GAP/RDX Propellants

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