Molecular dynamics simulation of bubble nucleation in Carbon Dioxide/Hexadecane Solution as an analog to foaming of polyethylene by Super Critical Carbon Dioxide

Journal of Plastic Film and Sheeting

Volumn 27, Issue 1-2, 2011, Pages 117-126

  Zhai, Ming ^a   Zhang, Rongzheng ^a   Li, Qian ^a   Shen, Changyu ^a  

^a ZHENGZHOU UNIVERSITY   (China)

Author keywords

Molecular dynamic simulation; Nucleation; Polymer; Supercritical fluid

Indexed keywords

BUBBLE NUCLEATION; CONSTANT PRESSURES; ENSEMBLE SIMULATION; FORCE FIELDS; GAS MOLECULES; GASPHASE; HEXADECANE; LOW MOLECULAR WEIGHT; MICROCELLULAR FOAMING; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR-DYNAMICS MODEL; NUCLEATION PROCESS; PERIODIC BOUNDARIES; SATURATED SOLUTIONS; SUPER-CRITICAL; SYSTEM TEMPERATURE; THREE DIMENSIONS;

CARBON; CARBON DIOXIDE; COMPUTER SIMULATION; DENSITY OF GASES; DYNAMICS; EFFLUENT TREATMENT; NUCLEATION; PARAFFINS; POLYETHYLENES; POLYMERS; SUPERCRITICAL FLUIDS; THERMOPLASTICS;

MOLECULAR DYNAMICS;

EID: 84863036028     PISSN: 87560879     EISSN: 15308014     Source Type: Journal    
DOI: 10.1177/8756087911399892     Document Type: Article

References (11)

1. Yuan M, Turng LS, Caulfield D, Hunt C and Spindler R. Study of Injection Molded Microcellular Polyamide-6 Nanocomposites Polymer Engineering and Science 2004; 44(4): 673-686.
2. Osorio A and Turng LS. Mathematical Modeling and Numerical Simulation of Cell Growth in Injection Molding of Microcellular Plastics Polymer Engineering and Science 2004; 44(12): 2274-2287.
3. Zhai M and Xie Y. A Numerical Simulation of Full-Shot Microcellular Injection Molding Journal of Polymer Engineering 2009; 29(7): 441-453.
4. Huang Q, Bernd S, and Paul D. Melt Extruded Open-Cell Microcellular Foams for Membrane Separation: Processing and Cell Morphology Relationship Cellular Plastics 2000; 36(3): 112-125.
5. Colton JS and Suh NP. Nucleation of Microcellular Thermoplastic Foam with Additives Polymer Engineering and Science 1987; 27(7): 485-492.
6. Park CB and Chung LK. Study of Cell Nucleation in the Extrusion of Polypropylene Foams Polymer Engineering and Science 1997; 37(1): 1-10.
7. Allen MP and Tildesley DJ. Computer Simulation of Liquids Oxford University Press, Oxford, 1987.
8. Virnau P, Muller M, MacDowel L and Binder K. Phase Separation Kinetics in Compressible Polymer Solutions: Computer Simulation of the Early Stages New Journal of Physics 2004; 6(7): 1-15.
9. Yelash L, Virnau P, Wolfgang P, Binder K and Muller M. Spinodal Decomposition of Polymer Solutions: a Parallelized Molecular Dynamics Simulation Physical Review E 2008; 78: 031801.
10. Sekine M, Yasuoka K, Kinjo T and Matsumoto M. Liquid-Vapor Nucleation Simulation of Lennard-Jones Fluid by Molecular Dynamics Method Fluid Dynamics Research 2008; 40: 597-605.
11. Kinjo T and Matsumoto M. Cavitation Processes and Negative Pressure Fluid Phase Equilibria 1998; 144(1-2): 343-350.