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Functionalized graphenes as nanofillers for polylactide: Molecular dynamics simulation study

https://doi.org/10.1002/pc.25369
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Molecular conformation of poly(S‐lactic acid)
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An Overview of Polylactides as Packaging Materials
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Heterogeneities in Polymer Structural and Dynamic Properties in Graphene and Graphene Oxide Nanocomposites: Molecular Dynamics Simulations
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Effect of the molecular chains grafted on graphene nanosheets on the properties of poly( l ‐lactic acid) nanocomposites
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Biocompatible reinforcement of poly(Lactic acid) with graphene nanoplatelets
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Effect of incorporation of graphene oxide and graphene nanoplatelets on mechanical and gas permeability properties of poly(lactic acid) films
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Polylactide/exfoliated graphite nanocomposites with enhanced thermal stability, mechanical modulus, and electrical conductivity
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Research progress in toughening modification of poly(lactic acid)
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Molecular Dynamics Simulations of Thermal Properties of Polymer Composites Enhanced by Cross-Linked Graphene Sheets
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A coarse-grained model for polylactide: glass transition temperature and conformational properties
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Computer Simulation of Liquids
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VMD: Visual molecular dynamics
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Functionalization enhancement on interfacial shear strength between graphene and polyethylene
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An overview of the recent developments in polylactide (PLA) research
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Investigation of the interface between polyethylene and functionalized graphene: A computer simulation study
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Grafting of epoxy chains onto graphene oxide for epoxy composites with improved mechanical and thermal properties
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Molecular dynamics simulations of the elastic properties of polymer/carbon nanotube composites
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Glass transition temperature of functionalized graphene–polymer composites
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Computational analysis of effect of single-walled carbon nanotube rope on molecular interaction and load transfer of nanocomposites
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Carbon nanotube–polymer interactions in nanocomposites: A review
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The mechanics of graphene nanocomposites: A review
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Polylactide-based nanocomposites with stereocomplex networks enhanced by GO-g-PDLA
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A review on carbon nanotubes and graphene as fillers in reinforced polymer nanocomposites
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Graphene/poly(ethylene glycol) nanocomposites as studied by molecular dynamics simulations
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Study of the molecular weight dependence of glass transition temperature for amorphous poly(l-lactide) by molecular dynamics simulation
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Polymer nanotechnology: Nanocomposites
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Current issues in research on structure–property relationships in polymer nanocomposites
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Graphene-based polymer nanocomposites
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Biodegradable polymers as biomaterials
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Multiscale modeling and simulation of polymer nanocomposites
inferredcites →https://doi.org/10.1016/j.progpolymsci.2009.12.003openalex-snapshot
Poly(lactic acid) modifications
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Recent advances in graphene based polymer composites
inferredcites →https://doi.org/10.1021/acs.jpcc.5b07345openalex-snapshot
Molecular Dynamics Study of the Aggregation Process of Graphene Oxide in Water
inferredcites →https://doi.org/10.1021/acs.macromol.5b00462openalex-snapshot
Highly Enhanced Crystallization Kinetics of Poly( l -lactic acid) by Poly(ethylene glycol) Grafted Graphene Oxide Simultaneously as Heterogeneous Nucleation Agent and Chain Mobility Promoter
inferredcites →https://doi.org/10.1021/acs.macromol.9b00574openalex-snapshot
Structure and Conformation of Stereoregular Poly(methyl methacrylate) Chains Adsorbed on Graphene Oxide and Reduced Graphene Oxide via Atomistic Simulations
inferredcites →https://doi.org/10.1021/acsmacrolett.6b00100openalex-snapshot
Distortion of Chain Conformation and Reduced Entanglement in Polymer–Graphene Oxide Nanocomposites
inferredcites →https://doi.org/10.1021/cm048346mopenalex-snapshot
Chemical Force Microscopy on Single-Walled Carbon Nanotube Paper
inferredcites →https://doi.org/10.1021/ct200251xopenalex-snapshot
Development of Force Field Parameters for Molecular Simulation of Polylactide
inferredcites →https://doi.org/10.1021/ct700301qopenalex-snapshot
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
inferredcites →https://doi.org/10.1021/ed062p101openalex-snapshot
A group electronegativity method with Pauling units
inferredcites →https://doi.org/10.1021/ja9621760openalex-snapshot
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
inferredcites →https://doi.org/10.1021/ja984106uopenalex-snapshot
OPLS All-Atom Model for Amines: Resolution of the Amine Hydration Problem
inferredcites →https://doi.org/10.1021/jp003919dopenalex-snapshot
Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides
inferredcites →https://doi.org/10.1021/jp100110nopenalex-snapshot
Effect of Chemisorption on the Interfacial Bonding Characteristics of Graphene−Polymer Composites
inferredcites →https://doi.org/10.1021/ma0348674openalex-snapshot
Helix Distortion and Crystal Structure of the α-Form of Poly( l -lactide)
inferredcites →https://doi.org/10.1021/ma100572eopenalex-snapshot
Graphene/Polymer Nanocomposites
inferredcites →https://doi.org/10.1021/ma201359sopenalex-snapshot
Structure and Conformations of Polymer/SWCNT Nanocomposites
inferredcites →https://doi.org/10.1021/mz500636sopenalex-snapshot
Kinetic Polymer Arrest in Percolated SWNT Networks
inferredcites →https://doi.org/10.1021/nl304647topenalex-snapshot
Wettability of Graphene
inferredcites →https://doi.org/10.1021/nl8034256openalex-snapshot
Atomic and Electronic Structure of Graphene-Oxide
inferredcites →https://doi.org/10.1021/nn901934uopenalex-snapshot
Hydrogen Bond Networks in Graphene Oxide Composite Paper: Structure and Mechanical Properties
inferredcites →https://doi.org/10.1023/a:1020200822435openalex-snapshot
A Literature Review of Poly(Lactic Acid)
inferredcites →https://doi.org/10.1038/nnano.2007.334openalex-snapshot
Single functional group interactions with individual carbon nanotubes
inferredcites →https://doi.org/10.1038/nnano.2008.96openalex-snapshot
Functionalized graphene sheets for polymer nanocomposites
inferredcites →https://doi.org/10.1039/b908220dopenalex-snapshot
Covalent polymer functionalization of graphene nanosheets and mechanical properties of composites
inferredcites →https://doi.org/10.1039/c1jm10420aopenalex-snapshot
Graphene oxide sheets covalently functionalized with block copolymers via click chemistry as reinforcing fillers
inferredcites →https://doi.org/10.1039/c2jm31312jopenalex-snapshot
Preparation and characterization of poly(l-lactide)–graphene composites using the in situ ring-opening polymerization of PLLA with graphene as the initiator
inferredcites →https://doi.org/10.1039/c3sm52688gopenalex-snapshot
Dynamics of various polymer–graphene interfacial systems through atomistic molecular dynamics simulations
inferredcites →https://doi.org/10.1039/c3ta12060kopenalex-snapshot
Greatly enhanced mechanical properties and heat distortion resistance of poly(l-lactic acid) upon compositing with functionalized reduced graphene oxide
inferredcites →https://doi.org/10.1039/c6ra22951dopenalex-snapshot
Characterization of a graphene oxide/poly(acrylic acid) nanocomposite by means of molecular dynamics simulations
inferredcites →https://doi.org/10.1039/c7cp01552fopenalex-snapshot
Molecular dynamics simulations of the structure and the morphology of graphene/polymer nanocomposites
inferredcites →https://doi.org/10.1039/tf9706600080openalex-snapshot
Non-symmetrical dielectric relaxation behaviour arising from a simple empirical decay function
inferredcites →https://doi.org/10.1063/1.1579568openalex-snapshot
Measurement of carbon nanotube–polymer interfacial strength
inferredcites →https://doi.org/10.1063/1.4821585openalex-snapshot
Sorption and diffusion of carbon dioxide and nitrogen in poly(methyl methacrylate)
inferredcites →https://doi.org/10.1063/1.4870170openalex-snapshot
Atomistic simulation of surface functionalization on the interfacial properties of graphene-polymer nanocomposites
inferredcites →https://doi.org/10.1080/10584587.2017.1370331openalex-snapshot
Glass transition temperature of functionalized graphene epoxy composites using molecular dynamics simulation
inferredcites →https://doi.org/10.1080/15583720701834208openalex-snapshot
Glass Transitions in Polylactides
inferredcites →https://doi.org/10.1088/0957-4484/20/12/125705openalex-snapshot
Nano-indentation studies on polymer matrix composites reinforced by few-layer graphene
inferredcites →https://doi.org/10.1088/0957-4484/20/8/085712openalex-snapshot
The mechanical properties and morphology of a graphite oxide nanoplatelet/polyurethane composite
inferredcites →https://doi.org/10.1126/science.1102896openalex-snapshot
Electric Field Effect in Atomically Thin Carbon Films
inferredcites →https://doi.org/10.1126/science.297.5582.803openalex-snapshot
Biodegradable Polymers for the Environment
inferredcites →https://doi.org/10.3390/polym7030390openalex-snapshot
Structural and Dynamical Properties of Polyethylene/Graphene Nanocomposites through Molecular Dynamics Simulations

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Effect of Functionalization on Adsorption and Thermal Property of Graphene Nanosheet/Paraffin Composite
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Atomistic simulations of functionalization of aramid fiber‐epoxy nanocomposite
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On the Development of Polylactic Acid/Polycaprolactone Blended Films with High Retention Capacity
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Mechanical Properties of Single‐Layer Diamond Reinforced Poly(vinyl alcohol) Nanocomposites through Atomistic Simulation
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A Coarse‐Grained Model for cis‐Polyisoprene: Thermal Expansion and Glass Transition Temperature
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A comparative study on dry‐sliding wear behavior of graphene oxide/epoxy nanocomposites functionalized by amino‐ and epoxy‐silane coupling agents
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Effects of functional group type and coverage on the interfacial strength and load transfer of graphene-polyethylene nanocomposites: a molecular dynamics simulation
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The Crystallization Behavior of L-Poly(lactic acid)/Polypropylene Blends: The Acceleration for Both L-Poly(lactic acid) and Polypropylene
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Sliding behaviour of carbon nanothread within a bundle embedded in polymer matrix
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Miscibility prediction of polylactic acid/polyhydroxyalkanoate blends by molecular dynamics simulations
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Effects of graphene reinforcement on morphology, thermophysical, and mechanical properties of polyvinyl alcohol and polyacrylamide in condensed phases
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Atomistic insights into the toughening role of surface-treated boron nitride nanosheets in PLA-based nanocomposites
inferred← citeshttps://doi.org/10.1016/j.molliq.2026.129739openalex-snapshot
Adsorption and removal of paraquat using functionalized graphenes: insights from molecular simulations
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Reinforced polymeric nanocomposites of the Amino-Decorated Polycalix[4]resorcinarene with graphene oxide and reduced graphene oxide as promising candidates in materials science
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Effects of 2D filler on rheology of additive manufacturing polymers: Simulation and experiment on polyetherketoneketone-mica composites
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Temperature-Transferable Coarse-Grained Models for Volumetric Properties of Poly(lactic Acid)
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A Temperature-Transferable Coarse-Grained Model for Poly(lactic Acid) Melts
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Tensile Performance of Polymer Nanocomposites with Randomly Dispersed Carbon Nanothreads
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Molecular interpretation of the carbon nitride performance as a template for the transport of anti-cancer drug into the biological membrane
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Interpreting the function of cell penetrating peptide (RGD) in drug transport to the cell membrane: a computational approach
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Chemically tuned radiolabeling and membrane affinity in Drug-Functionalized carbon nanotube nanocarriers
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Molecular insights into the effect of graphene surface functionalization on the properties of PEO-based solid polymer electrolytes
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A molecular dynamics study on the local mobility of cis-polyisoprene within the mixed glassy/rubbery states induced by graphene planes
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The shape memory and interface properties of graphene oxide enforced poly ( L -lactide-co- ɛ -caprolactone) by molecular dynamics simulation
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Supramolecular Interactions in Hybrid Polylactide Blends—The Structures, Mechanisms and Properties
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Molecular Dynamics Simulation of the Interfacial Shear Properties between Thermoplastic Polyurethane and Functionalized Graphene Sheet
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