Molecular Dynamics Simulation on Diffusion of Five Kinds of Chemical Additives in Polypropylene

Migration of Stabilizers from Polypropylene into Simulated Food

(2016) Bo Li et al.   ANALYTICAL LETTERS

Effect of free volume redistribution on the diffusivity of water and benzene in poly(vinyl alcohol)

(2015) A. Noorjahan et al.   CHEMICAL ENGINEERING SCIENCE

Structural and Dynamical Properties of Polyethylene/Graphene Nanocomposites through Molecular Dynamics Simulations

(2015) Anastassia Rissanou et al.   Polymers

Molecular dynamics simulation on the effect of the distance between SWCNTs for short polymers diffusion among single wall carbon nanotubes

(2014) Xin-ting Zhao et al.   COMPUTATIONAL MATERIALS SCIENCE

Simultaneous Determination of Antioxidants and Ultraviolet Absorbers by Ultra-Performance Liquid Chromatography in Food Simulants

(2014) Chengfa Li et al.   Food Analytical Methods

Molecular dynamics simulation of diffusion coefficients and structural properties of some alkylbenzenes in supercritical carbon dioxide at infinite dilution

(2014) Jinyang Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Techniques to measure sorption and migration between small molecules and packaging. A critical review

(2014) Ashish A Kadam et al.   JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE

Molecular dynamics studies on the structures of polymer electrolyte membranes and diffusion mechanism of protons and small molecules

(2014) Tomonori Kawakami et al.   POLYMER

Molecular dynamics simulation of oxygen diffusion in cubic yttria-stabilized zirconia: Effects of temperature and composition

(2014) Vladimir V. Sizov et al.   SOLID STATE IONICS

Diffusion of CO2Molecules in Polyethylene Terephthalate/Polylactide Blends Estimated by Molecular Dynamics Simulations

(2013) Li-Qiong Liao et al.   BULLETIN OF THE KOREAN CHEMICAL SOCIETY

Migration of Chemical Compounds from Packaging Polymers during Microwave, Conventional Heat Treatment, and Storage

(2013) Kanishka Bhunia et al.   COMPREHENSIVE REVIEWS IN FOOD SCIENCE AND FOOD SAFETY

Molecular dynamics simulation of corrosive species diffusion in imidazoline inhibitor films with different alkyl chain length

(2013) Youguo Yan et al.   CORROSION SCIENCE

Static liquid permeation cell method for determining the migration parameters of low molecular weight organic compounds in polyethylene terephthalate

(2013) Yoon S. Song et al.   Food Additives and Contaminants Part A-Chemistry Analysis Control Exposure & Risk Assessment

Diffusion of natural astaxanthin from polyethylene active packaging films into a fatty food simulant

(2013) Citlali Colín-Chávez et al.   FOOD RESEARCH INTERNATIONAL

Diffusion behavior of the model diesel components in different polymer membranes by molecular dynamic simulation

(2012) Changjian Ling et al.   CHEMICAL ENGINEERING SCIENCE

Human Risk Assessment of Endocrine-Disrupting Chemicals Derived from Plastic Food Containers

(2012) Du Yeon Bang et al.   COMPREHENSIVE REVIEWS IN FOOD SCIENCE AND FOOD SAFETY

Molecular Dynamics Simulation of Penetrants Transport in Composite Poly(4-methyl-2-pentyne) and Silica Nanoparticles

(2012) Quan Yang et al.   Journal of Physical Chemistry C

Molecular dynamics simulation of corrosive particle diffusion in benzimidazole inhibitor films

(2011) Jun Zhang et al.   CORROSION SCIENCE

Application of free-volume theory to self diffusion of solvents in polymers below the glass transition temperature: A review

(2011) N. Ramesh et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

Investigation in Influence of Types of Polypropylene Material on Diffusion by Using Molecular Dynamics Simulation

(2011) Zhi-Wei Wang et al.   PACKAGING TECHNOLOGY AND SCIENCE

Diffusion coefficients and activation energies of diffusion of low molecular weight migrants in Poly(ethylene terephthalate) bottles

(2011) Frank Welle et al.   POLYMER TESTING

How to predict diffusion of medium-sized molecules in polymer matrices. From atomistic to coarse grain simulations

(2010) Alfonso Gautieri et al.   JOURNAL OF MOLECULAR MODELING

Molecular dynamics simulation on diffusion of 13 kinds of small molecules in polyethylene terephthalate

(2010) Zhi-Wei Wang et al.   PACKAGING TECHNOLOGY AND SCIENCE

Water vapor/propylene sorption and diffusion behavior in PVA–P(AA-AMPS) blend membranes by GCMC and MD simulation

(2009) Fusheng Pan et al.   CHEMICAL ENGINEERING SCIENCE

Migration and Diffusion of Diphenylbutadiene from Packages into Foods

(2009) A. Sanches Silva et al.   JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

Molecular Dynamics Simulation of Poly(ethylene terephthalate) Oligomers

(2009) Qifei Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular dynamics simulation of diffusion and permeation of gases in polystyrene

(2009) Farkhondeh Mozaffari et al.   POLYMER

Microstructure dependent diffusion of water–ethanol in swollen poly(vinyl alcohol): A molecular dynamics simulation study

(2008) Qiu Gen Zhang et al.   CHEMICAL ENGINEERING SCIENCE

Molecular simulation on penetrants diffusion at the interface region of organic–inorganic hybrid membranes

(2007) Fusheng Pan et al.   CHEMICAL ENGINEERING SCIENCE