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Volumn 114, Issue 43, 2010, Pages 13773-13785

Strontium nitrate extraction to ionic liquids by a crown ether: A molecular dynamics study of aqueous interfaces with C4mim+-vs C8mim+-based ionic liquids

Author keywords

[No Author keywords available]

Indexed keywords

CROWN ETHERS; DYNAMICS; ETHERS; FEATURE EXTRACTION; ION EXCHANGE; MOLECULAR DYNAMICS; PHASE INTERFACES; POSITIVE IONS; SOLUTIONS; SOLVENT EXTRACTION; STRONTIUM;

EID: 78649277025     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp106441h     Document Type: Article
Times cited : (23)

References (70)
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    • (1999) Chem. Rev. , vol.99 , pp. 2071-2083
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    • - charges are thus reduced and the complexes are less polar, possibly facilitating their extraction. ii The sampling has been significantly improved by calculating long MD trajectories at preformed interfaces up to 100 ns per system, and by simulating random mixtures of solvents and solutes mixing-demixing simulations
    • - charges are thus reduced and the complexes are less polar, possibly facilitating their extraction. (ii) The sampling has been significantly improved by calculating long MD trajectories at preformed interfaces (up to 100 ns per system), and by simulating random mixtures of solvents and solutes (mixing-demixing simulations).
    • (2004) Phys. Chem. Chem. Phys. , vol.7 , pp. 124
    • Vayssière, P.1    Chaumont, A.2    Wipff, G.3
  • 47
    • 84906392194 scopus 로고    scopus 로고
    • 6 IL 16 kcal/mol
    • 6] IL (16 kcal/mol).
  • 51
    • 0001057980 scopus 로고
    • Benjamin, I. Science 1993, 261, 1558-1560.
    • (1993) Science , vol.261 , pp. 1558-1560
    • Benjamin, I.1
  • 52
    • 84906392188 scopus 로고    scopus 로고
    • II, the crown and the nitrates. This is why the neutral complexes have been modeled with Sr-O pseudobonds
    • II, the crown and the nitrates. This is why the neutral complexes have been modeled with Sr-O pseudobonds.
  • 54
    • 84906392189 scopus 로고    scopus 로고
    • 2+ species decomplexed and the freed 18C6 diffused to the interface
    • 2+ species decomplexed and the freed 18C6 diffused to the interface.
  • 59
    • 84906363931 scopus 로고    scopus 로고
    • 32 complexes 10%. They should thus be more easily transferred to chloroform
    • 2] complexes (10%). They should thus be more easily transferred to chloroform.
  • 64
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    • 3 species Figure 8
    • 3 species (Figure 8).
  • 65
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    • Arguably, simulation times at the chloroform/water interface 10 ns are shorter than those of the IL/water interfaces up to 100 ns. In the former case, however, the system is equilibrated, as seen from the comparison of mixing-demixing simulation results within ca. 1 ns with those obtained at preformed interfaces, As seen in this paper, in the case of ILs, both types of approaches do not converge to identical landscapes
    • Arguably, simulation times at the chloroform/water interface (10 ns) are shorter than those of the IL/water interfaces (up to 100 ns). In the former case, however, the system is equilibrated, as seen from the comparison of mixing-demixing simulation results (within ca. 1 ns) with those obtained at preformed interfaces (Muzet, N.; Wipff, G., J. Phys. Chem. B 1998, 102, 10772-10788). As seen in this paper, in the case of ILs, both types of approaches do not converge to identical landscapes.
    • (1998) J. Phys. Chem. B , vol.102 , pp. 10772-10788
    • Muzet, N.1    Wipff, G.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.