Solubility of small molecules and their mixtures in polyethylene

Journal of Physical Chemistry B

Volumn 103, Issue 18, 1999, Pages 3539-3544

  Nath, Shyamal K ^a   De Pablo, Juan J ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001089722     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9842796     Document Type: Article

References (16)

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2. Nath, S. K.; Escobedo, F. A.; de Pablo, J. J.; Patramai, I. Ind. Eng. Chem. Res. 1998, 37, 3195. Note that, accidentally, the bond length for ethylene was not mentioned in Table 1 of this paper. The equilibrium bond length for ethylene is 1.34 Å.
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9. Note that, in this work, we use a cutoff radius of 10 Å instead of the longer cutoff radius (13.5 Å) used in our earlier works. We have found that the results of simulation are independent of the cutoff radius used. Use of a smaller cutoff radius helps to increase the efficiency of our simulations.
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