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Chemistry

D-Index
48
Citations
5853
World Ranking
15448
National Ranking
668

Overview

Patrice Malfreyt is affiliated with the University of Clermont Auvergne in France. Their research primarily spans the fields of Materials Science and Engineering, with a focus on polymers, materials chemistry, and related subfields.

The scientist's main fields of study include:

  • Materials Science
  • Engineering

More specific areas of expertise involve the following subfields:

  • Polymers and Plastics
  • Materials Chemistry
  • Organic Chemistry
  • Biomedical Engineering
  • Atomic and Molecular Physics, and Optics

Key research topics Patrice Malfreyt has explored comprise:

  • Polymer crystallization and properties
  • Material Dynamics and Properties
  • Block Copolymer Self-Assembly
  • Force Microscopy Techniques and Applications
  • Rheology and Fluid Dynamics Studies
  • Polymer Science and PVC
  • Effects and risks of endocrine disrupting chemicals

The scientist has contributed to a variety of publications, including notable papers such as:

  • Enhancing the Thermostability of Engineered Laccases in Aqueous Betaine-Based Natural Deep Eutectic Solvents (2021, ACS Sustainable Chemistry & Engineering)
  • Understanding and Characterizing the Drug Sorption to PVC and PE Materials (2021, ACS Applied Materials & Interfaces)
  • Molecular Simulations of Thermomechanical Properties of Epoxy-Amine Resins (2022, ACS Omega)
  • Multi-scale modeling of the polymer-filler interaction (2020, Soft Matter)
  • Drug Interactions with Plasticized PVCs (2022, ACS Applied Polymer Materials)

Frequent publication venues where Patrice Malfreyt's work appears include:

  • The Journal of Chemical Physics
  • ACS Omega
  • The Journal of Physical Chemistry B
  • Macromolecules
  • Zenodo (CERN European Organization for Nuclear Research)

Collaborations have been established with several coauthors, including:

  • Alain Dequidt
  • Julien Devémy
  • Patrice Hauret
  • Benoit Latour
  • Florent Goujon

Best Publications

  • Computer modelling of the surface tension of the gas-liquid and liquid-liquid interface.

    Aziz Ghoufi;Patrice Malfreyt;Dominic J Tildesley

  • Molecular simulations of the n -alkane liquid-vapor interface: interfacial properties and their long range corrections.

    C. Ibergay;Aziz Ghoufi;F. Goujon;P. Ungerer

  • Physical Properties and Hydrogen-Bonding Network of Water-Ethanol Mixtures from Molecular Dynamics Simulations.

    Aziz Ghoufi;Franck Artzner;Patrice Malfreyt

  • Mesoscale modeling of the water liquid-vapor interface: a surface tension calculation.

    Aziz Ghoufi;Patrice Malfreyt

  • Surface tension of water and acid gases from Monte Carlo simulations.

    Aziz Ghoufi;Florent Goujon;Véronique Lachet;Patrice Malfreyt

  • Dissipative Particle Dynamics Simulations of Grafted Polymer Chains between Two Walls

    P. Malfreyt;D. J. Tildesley

  • Calculation of the surface tension from Monte Carlo simulations: does the model impact on the finite-size effects ?

    Frédéric Biscay;Aziz Ghoufi;Florent Goujon;Véronique Lachet

  • Mesoscopic simulation of entanglements using dissipative particle dynamics : Application to polymer brushes

    Florent Goujon;Patrice Malfreyt;Dominic J. Tildesley

  • Effect of alkyl chain length and hydroxyl group functionalization on the surface properties of imidazolium ionic liquids

    Alfonso S. Pensado;Alfonso S. Pensado;Margarida F. Costa Gomes;Margarida F. Costa Gomes;José N. Canongia Lopes;Patrice Malfreyt;Patrice Malfreyt

  • Surface tension of water–alcohol mixtures from Monte Carlo simulations

    Frédéric Biscay;Aziz Ghoufi;Patrice Malfreyt

  • Direct Monte Carlo simulations of the equilibrium properties of n-pentane liquid-vapor interface

    Florent Goujon;Patrice Malfreyt;Anne Boutin;Alain H. Fuchs

  • Monte Carlo versus molecular dynamics simulations in heterogeneous systems: An application to the n-pentane liquid-vapor interface

    Florent Goujon;Patrice Malfreyt;Jean-Marc Simon;Anne Boutin

  • Physics behind Water Transport through Nanoporous Boron Nitride and Graphene

    Ludovic Garnier;Anthony Szymczyk;Patrice Malfreyt;Aziz Ghoufi

  • Electrostatic Interactions in Dissipative Particle Dynamics: Toward a Mesoscale Modeling of the Polyelectrolyte Brushes.

    Cyrille Ibergay;Patrice Malfreyt;Dominic J. Tildesley

  • Dissipative particle dynamics simulation of grafted polymer brushes under shear

    Danial Irfachsyad;Dominic Tildesley;Patrice Malfreyt

  • Molecular dynamics simulations of the liquid surface of the ionic liquid 1-hexyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide: structure and surface tension.

    Alfonso Sanmartín Pensado;Patrice Malfreyt;Agílio A. H. Pádua

  • Expressions for local contributions to the surface tension from the virial route

    Aziz Ghoufi;Florent Goujon;Véronique Lachet;Patrice Malfreyt

  • Interactions and Ordering of Ionic Liquids at a Metal Surface

    Ana C. F. Mendonça;Patrice Malfreyt;Agílio A. H. Pádua

  • Monte Carlo calculation of the methane-water interfacial tension at high pressures

    Frédéric Biscay;Aziz Ghoufi;Véronique Lachet;Patrice Malfreyt

  • Dissipative particle dynamics simulations in the grand canonical ensemble: applications to polymer brushes.

    Florent Goujon;Patrice Malfreyt;Dominic J. Tildesley

  • Recent advances in Many Body Dissipative Particles Dynamics simulations of liquid-vapor interfaces

    Aziz Ghoufi;Janine Emile;Patrice Malfreyt

  • Nonequilibrium Molecular Simulations of New Ionic Lubricants at Metallic Surfaces: Prediction of the Friction.

    Ana Catarina Fernandes Mendonça;Agilio A. H. Padua;Patrice Malfreyt

Frequent Co-Authors

Agílio A. H. Pádua
Agílio A. H. Pádua École Normale Supérieure de Lyon
Anne Boutin
Anne Boutin École Normale Supérieure
Christine Taviot-Guého
Christine Taviot-Guého University of Clermont Auvergne
Fabrice Leroux
Fabrice Leroux University of Clermont Auvergne
Alain H. Fuchs
Alain H. Fuchs Chimie ParisTech
Guillaume Maurin
Guillaume Maurin University of Montpellier
José N. Canongia Lopes
José N. Canongia Lopes Instituto Superior Técnico
Margarida F. Costa Gomes
Margarida F. Costa Gomes École Normale Supérieure de Lyon
Josefa Fernández
Josefa Fernández University of Santiago de Compostela
Barbara Kirchner
Barbara Kirchner University of Bonn

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