Effect of the molecular structure of semicrystalline polyethylene on mechanical properties studied by molecular dynamics

2012 ◽  
Vol 125 (6) ◽  
pp. 4358-4367 ◽  
Author(s):  
Séverine Queyroy ◽  
Bernard Monasse
Keyword(s):  
Molecular Structure ◽  
Mechanical Properties ◽  
Molecular Dynamics

Differences in the Solid­State Structures of Single­Site and Ziegler ­Natta Linear Low­density Polyethylenes as Revealed by Molecular Dynam ics Simulation

2017 ◽  
Author(s):  
Fanny Yuen
Keyword(s):  
Molecular Structure ◽  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Low Temperature ◽  
Molecular Dynamics Simulations ◽  
Stem Length ◽  
Low Density ◽  
Dynamics Simulations ◽  
Experimental Findings ◽  
System Order

The correlations between molecular structure and mechanical properties of linear low ­density polyethylenes are introduced. The program, procedures and conditions for the molecular dynamics simulations of singlesite and Ziegler ­Natta linear low ­density polyethylenes are presented. Resulting structures of the two polymers formed after the low ­temperature equilibrations are illustrated. Findings with regards to system order, stem length, branch distribution and concentration of tie ­chains are discussed. The results are found to be consistent with experimental findings

scholarly journals A reactive molecular dynamics study on the mechanical properties of a recently synthesized amorphous carbon monolayer converted into a nanotube/nanoscroll

2021 ◽  
Author(s):  
Marcelo Lopes Pereira Junior ◽  
Wiliam Ferreira da Cunha ◽  
Douglas Soares Galvão ◽  
Luiz Antonio Ribeiro Junior
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Chemical Vapor Deposition ◽  
Amorphous Carbon ◽  
Vapor Deposition ◽  
Chemical Vapor ◽  
Free Standing ◽  
Reactive Molecular Dynamics

Recently, laser-assisted chemical vapor deposition has been used to synthesize a free-standing, continuous, and stable monolayer amorphous carbon (MAC).

scholarly journals Cribellate thread production as model for spider’s spinneret kinematics

2021 ◽  
Author(s):  
Margret Weissbach ◽  
Marius Neugebauer ◽  
Anna-Christin Joel
Keyword(s):  
Molecular Structure ◽  
Mechanical Properties ◽  
Fibre Type ◽  
Material Science ◽  
Spider Silk ◽  
Functional Unit ◽  
Material Strength ◽  
Spinning Process ◽  
Fibre Spinning ◽  
House Spider

AbstractSpider silk attracts researchers from the most diverse fields, such as material science or medicine. However, still little is known about silk aside from its molecular structure and material strength. Spiders produce many different silks and even join several silk types to one functional unit. In cribellate spiders, a complex multi-fibre system with up to six different silks affects the adherence to the prey. The assembly of these cribellate capture threads influences the mechanical properties as each fibre type absorbs forces specifically. For the interplay of fibres, spinnerets have to move spatially and come into contact with each other at specific points in time. However, spinneret kinematics are not well described though highly sophisticated movements are performed which are in no way inferior to the movements of other flexible appendages. We describe here the kinematics for the spinnerets involved in the cribellate spinning process of the grey house spider, Badumna longinqua, as an example of spinneret kinematics in general. With this information, we set a basis for understanding spinneret kinematics in other spinning processes of spiders and additionally provide inspiration for biomimetic multiple fibre spinning.

scholarly journals Conversion of Lignocellulosic Biomass to Nanocellulose: Structure and Chemical Process

2014 ◽  
Vol 2014 ◽  
pp. 1-20 ◽  
Author(s):  
H. V. Lee ◽  
S. B. A. Hamid ◽  
S. K. Zain
Keyword(s):  
Molecular Structure ◽  
Mechanical Properties ◽  
Lignocellulosic Biomass ◽  
Chemical Process ◽  
Catalyst Design ◽  
Natural Resistance ◽  
Cellulose Crystallinity ◽  
Biomass Recalcitrance ◽  
Cellulose Accessibility ◽  
High Cellulose

Lignocellulosic biomass is a complex biopolymer that is primary composed of cellulose, hemicellulose, and lignin. The presence of cellulose in biomass is able to depolymerise into nanodimension biomaterial, with exceptional mechanical properties for biocomposites, pharmaceutical carriers, and electronic substrate’s application. However, the entangled biomass ultrastructure consists of inherent properties, such as strong lignin layers, low cellulose accessibility to chemicals, and high cellulose crystallinity, which inhibit the digestibility of the biomass for cellulose extraction. This situation offers both challenges and promises for the biomass biorefinery development to utilize the cellulose from lignocellulosic biomass. Thus, multistep biorefinery processes are necessary to ensure the deconstruction of noncellulosic content in lignocellulosic biomass, while maintaining cellulose product for further hydrolysis into nanocellulose material. In this review, we discuss the molecular structure basis for biomass recalcitrance, reengineering process of lignocellulosic biomass into nanocellulose via chemical, and novel catalytic approaches. Furthermore, review on catalyst design to overcome key barriers regarding the natural resistance of biomass will be presented herein.

Sign in / Sign up

Export Citation Format

Share Document