메뉴 건너뛰기




Volumn 134, Issue 4, 2011, Pages

Mutual diffusion coefficients of heptane isomers in nitrogen: A molecular dynamics study

Author keywords

[No Author keywords available]

Indexed keywords

CHAPMAN-ENSKOG; CORRESPONDING STATE; CROSS INTERACTIONS; ENERGY WELLS; GREEN-KUBO FORMULA; INTERACTION POTENTIALS; INTERMOLECULAR POTENTIALS; LENNARD-JONES POTENTIAL; MD SIMULATION; MECHANICAL SYSTEMS; MOLECULAR DYNAMICS SIMULATIONS; MUTUAL DIFFUSION COEFFICIENTS; POLYATOMIC MOLECULES; TEMPERATURE RANGE;

EID: 79551613938     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3512918     Document Type: Article
Times cited : (37)

References (49)
  • 2
    • 84874543654 scopus 로고
    • 10.1080/00268978400101041
    • M. Schoen and C. Hoheisel, Mol. Phys. 52, 33 (1984); 10.1080/ 00268978400101041
    • (1984) Mol. Phys. , vol.52 , pp. 33
    • Schoen, M.1    Hoheisel, C.2
  • 3
    • 0000969286 scopus 로고
    • 10.1103/PhysRevB.37.5677
    • D. M. Heyes, Phys. Rev. B 37, 5677 (1988); 10.1103/PhysRevB.37.5677
    • (1988) Phys. Rev. B , vol.37 , pp. 5677
    • Heyes, D.M.1
  • 4
    • 0028039039 scopus 로고
    • 10.1016/0010-2180(94)90167-8
    • H. Wang and M. Frenklach, Combust. Flame 96, 163 (1994); 10.1016/0010-2180(94)90167-8
    • (1994) Combust. Flame , vol.96 , pp. 163
    • Wang, H.1    Frenklach, M.2
  • 5
    • 0015630447 scopus 로고
    • 10.1002/aic.690190312
    • T. R. Marrero and E. A. Mason, AIChE J. 19, 498 (1973). 10.1002/aic.690190312
    • (1973) AIChE J. , vol.19 , pp. 498
    • Marrero, T.R.1    Mason, E.A.2
  • 8
    • 0029672736 scopus 로고    scopus 로고
    • 10.1016/0378-3812(95)02970-2
    • W. A. Wakeham, Fluid Phase Equilib. 117, 334 (1996). 10.1016/0378- 3812(95)02970-2
    • (1996) Fluid Phase Equilib. , vol.117 , pp. 334
    • Wakeham, W.A.1
  • 11
    • 0141497453 scopus 로고    scopus 로고
    • Experimental study of fuel decomposition and hydrocarbon growth processes for practical fuel components: Heptanes
    • DOI 10.1016/S0010-2180(03)00113-5
    • C. S. McEnally, D. S. Ciuparu, and L. D. Pfefferle, Combust. Flame 134, 339 (2003). 10.1016/S0010-2180(03)00113-5 (Pubitemid 37167998)
    • (2003) Combustion and Flame , vol.134 , Issue.4 , pp. 339-353
    • McEnally, C.S.1    Ciuparu, D.M.2    Pfefferle, L.D.3
  • 12
  • 13
    • 0037149137 scopus 로고    scopus 로고
    • Properties of C-C bonds in n-alkanes: Relevance to cracking mechanisms
    • DOI 10.1021/jp0129030
    • K. C. Hunter and A. L. L. East, J. Phys Chem A 106, 1346 (2002). 10.1021/jp0129030 (Pubitemid 35264281)
    • (2002) Journal of Physical Chemistry A , vol.106 , Issue.7 , pp. 1346-1356
    • Hunter, K.C.1    East, A.L.L.2
  • 15
    • 12344271673 scopus 로고
    • 10.1143/JPSJ.12.570
    • R. Kubo, J. Phys. Soc. Jpn. 12, 570 (1957). 10.1143/JPSJ.12.570
    • (1957) J. Phys. Soc. Jpn. , vol.12 , pp. 570
    • Kubo, R.1
  • 16
    • 0002477138 scopus 로고
    • 10.1146/annurev.pc.16.100165.000435
    • R. Zwanzig, Annu. Rev. Phys. Chem. 16, 67 (1965). 10.1146/annurev.pc.16. 100165.000435
    • (1965) Annu. Rev. Phys. Chem. , vol.16 , pp. 67
    • Zwanzig, R.1
  • 19
    • 36049008431 scopus 로고    scopus 로고
    • Predictions of transport properties in gaseous mixtures of sulfur hexafluoride and nitrogen
    • DOI 10.1021/jp0743222
    • A. Olivet and L. F. Vega, J. Phys. Chem. C 111, 16013 (2007). 10.1021/jp0743222 (Pubitemid 350097670)
    • (2007) Journal of Physical Chemistry C , vol.111 , Issue.43 , pp. 16013-16020
    • Olivet, A.1    Vega, L.F.2
  • 25
    • 0037438334 scopus 로고    scopus 로고
    • 10.1016/S0301-0104(02)00968-0
    • J. Petravic and J. Delhommelle, Chem. Phys. 286, 303 (2003); 10.1016/S0301-0104(02)00968-0
    • (2003) Chem. Phys. , vol.286 , pp. 303
    • Petravic, J.1    Delhommelle, J.2
  • 27
    • 35948991876 scopus 로고    scopus 로고
    • 2 from flue gases in Cu-BTC meta -organic framework
    • DOI 10.1002/aic.11298
    • Q. Yang, C. Xue, C. Zhong, and J. F. Chen, AIChE J. 53, 2832 (2007); 10.1002/aic.11298 (Pubitemid 350074577)
    • (2007) AIChE Journal , vol.53 , Issue.11 , pp. 2832-2840
    • Yang, Q.1    Xue, C.2    Zhong, C.3    Chen, J.-F.4
  • 28
    • 0035478357 scopus 로고    scopus 로고
    • Gas-phase and liquid-state properties of esters, nitriles, and nitro compounds with the OPLS-AA force field
    • DOI 10.1002/jcc.1092
    • M. L. P. Price, D. Ostrovsky, and W. L. Jorgensen, J. Comput. Chem 22, 1340 (2001); 10.1002/jcc.1092 (Pubitemid 32900801)
    • (2001) Journal of Computational Chemistry , vol.22 , Issue.13 , pp. 1340-1352
    • Price, M.L.P.1    Ostrovsky, D.2    Jorgensen, W.L.3
  • 30
    • 79551601139 scopus 로고    scopus 로고
    • See supplementary material at E-JCPSA6-134-053042 for further data
    • See supplementary material at http://dx.doi.org/10.1063/1.3512918 E-JCPSA6-134-053042 for further data.
  • 33
    • 2342626506 scopus 로고    scopus 로고
    • Determination of diffusion coefficients by gas chromatography
    • DOI 10.1016/j.chroma.2004.01.015, PII S0021967304000573
    • G. Karaiskakis and D. Gavril, J. Chromatogr. A 1037, 147 (2004). 10.1016/j.chroma.2004.01.015 (Pubitemid 38607336)
    • (2004) Journal of Chromatography A , vol.1037 , Issue.1-2 , pp. 147-189
    • Karaiskakis, G.1    Gavril, D.2
  • 34
    • 1842608505 scopus 로고    scopus 로고
    • Determination of collision cross-sectional parameters from experimentally measured gas diffusion coefficients
    • DOI 10.1016/j.fluid.2003.12.010, PII S0378381204000044
    • D. Gavril, K. R. Atta, and G. Karaiskakis, Fluid Phase Equilib. 218, 177 (2004). 10.1016/j.fluid.2003.12.010 (Pubitemid 38446773)
    • (2004) Fluid Phase Equilibria , vol.218 , Issue.2 , pp. 177-188
    • Gavril, D.1    Atta, K.R.2    Karaiskakis, G.3
  • 37
    • 0024630197 scopus 로고
    • 10.1002/aic.690350312
    • C. Erkey and A. Akgerman, AIChE J. 35, 443 (1989). 10.1002/aic.690350312
    • (1989) AIChE J. , vol.35 , pp. 443
    • Erkey, C.1    Akgerman, A.2
  • 40
    • 0037289847 scopus 로고    scopus 로고
    • Multicomponent diffusion theory and its applications to polymer-solvent systems
    • DOI 10.1002/aic.690490204
    • P. E. P. Jr. and I. H. Romdhane, AIChE J. 49, 309 (2003). 10.1002/aic.690490204 (Pubitemid 36228198)
    • (2003) AIChE Journal , vol.49 , Issue.2 , pp. 309-322
    • Price Jr., P.E.1    Romdhane, I.H.2
  • 41
    • 0000979943 scopus 로고    scopus 로고
    • An engineering approach to an unsolved problem in multicomponent diffusion
    • DOI 10.1002/aic.690470508
    • E. B. Nauman and J. Savoca, AIChE J. 47, 1016 (2001). 10.1002/aic.690470508 (Pubitemid 36858881)
    • (2001) AIChE Journal , vol.47 , Issue.5 , pp. 1016-1021
    • Nauman, E.B.1    Savoca, J.2
  • 44
    • 0016508812 scopus 로고
    • 10.1002/aic.690210313
    • B. I. Lee and M. G. Kesler, AIChE J. 21, 510 (1975). 10.1002/aic. 690210313
    • (1975) AIChE J. , vol.21 , pp. 510
    • Lee, B.I.1    Kesler, M.G.2
  • 46
    • 36849098438 scopus 로고
    • 10.1063/1.1680358
    • C. L. Kong, J. Chem. Phys. 59, 2464 (1973). 10.1063/1.1680358
    • (1973) J. Chem. Phys. , vol.59 , pp. 2464
    • Kong, C.L.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.