메뉴 건너뛰기




Volumn 163, Issue 2, 2010, Pages 172-181

Determination of enthalpy of formation of methyl and ethyl esters of fatty acids

Author keywords

Enthalpy of formation; Esters; Estimation methods; Gaussian; Heating value

Indexed keywords

FATTY ACID ESTER;

EID: 74149085386     PISSN: 00093084     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphyslip.2009.11.002     Document Type: Article
Times cited : (30)

References (31)
  • 1
    • 0000543185 scopus 로고    scopus 로고
    • Gaussian-3 theory using density functional geometries and zero-point energies
    • Baboul A.G., Curtis L.A., and Redfern P.C. Gaussian-3 theory using density functional geometries and zero-point energies. Journal of Chemical Physics 110 16 (1999) 7650-7657
    • (1999) Journal of Chemical Physics , vol.110 , Issue.16 , pp. 7650-7657
    • Baboul, A.G.1    Curtis, L.A.2    Redfern, P.C.3
  • 2
    • 33748614674 scopus 로고
    • A modification of the Gaussian-2 approach using density functional theory
    • Bauschlicher C.W., and Partridge H. A modification of the Gaussian-2 approach using density functional theory. Journal of Chemical Physics 103 (1995) 1788-1791
    • (1995) Journal of Chemical Physics , vol.103 , pp. 1788-1791
    • Bauschlicher, C.W.1    Partridge, H.2
  • 3
    • 58149324166 scopus 로고
    • A comparison of the accuracy of different functionals
    • Bauschlicher C.W. A comparison of the accuracy of different functionals. Chemical Physics Letters 246 (1995) 40-44
    • (1995) Chemical Physics Letters , vol.246 , pp. 40-44
    • Bauschlicher, C.W.1
  • 4
    • 34547552498 scopus 로고    scopus 로고
    • Thermochemical properties of polycyclic aromatic hydrocarbons (PAH) from G3MP2B3 calculations
    • Blanquart G., and Pitsch H. Thermochemical properties of polycyclic aromatic hydrocarbons (PAH) from G3MP2B3 calculations. Journal of Physical Chemistry A 111 (2007) 6510-6520
    • (2007) Journal of Physical Chemistry A , vol.111 , pp. 6510-6520
    • Blanquart, G.1    Pitsch, H.2
  • 5
    • 4243553426 scopus 로고
    • Density-functional exchange-energy approximation with correct asymptotic behavior
    • Becke A.D. Density-functional exchange-energy approximation with correct asymptotic behavior. Physical Review A 38 6 (1988) 3098-3100
    • (1988) Physical Review A , vol.38 , Issue.6 , pp. 3098-3100
    • Becke, A.D.1
  • 6
    • 77956779984 scopus 로고
    • Density-functional thermochemistry. I. The effect of the exchange-only gradient correction
    • Becke A.D. Density-functional thermochemistry. I. The effect of the exchange-only gradient correction. Journal of Chemical Physics 96 3 (1992) 2155-2160
    • (1992) Journal of Chemical Physics , vol.96 , Issue.3 , pp. 2155-2160
    • Becke, A.D.1
  • 7
    • 0001161681 scopus 로고
    • Density-functional thermochemistry. II. The effect of the Perdew-Wang generalized-gradient correlation correction
    • Becke A.D. Density-functional thermochemistry. II. The effect of the Perdew-Wang generalized-gradient correlation correction. Journal of Chemical Physics 97 12 (1992) 9173-9177
    • (1992) Journal of Chemical Physics , vol.97 , Issue.12 , pp. 9173-9177
    • Becke, A.D.1
  • 8
    • 34250817103 scopus 로고
    • A new mixing of Hartree-Fock and local density-functional theories
    • Becke A.D. A new mixing of Hartree-Fock and local density-functional theories. Journal of Chemical Physics 98 2 (1993) 1372-1377
    • (1993) Journal of Chemical Physics , vol.98 , Issue.2 , pp. 1372-1377
    • Becke, A.D.1
  • 9
    • 0000189651 scopus 로고
    • Density-functional thermochemistry. III. The role of exact exchange
    • Becke A.D. Density-functional thermochemistry. III. The role of exact exchange. Journal of Chemical Physics 98 7 (1993) 5648-5652
    • (1993) Journal of Chemical Physics , vol.98 , Issue.7 , pp. 5648-5652
    • Becke, A.D.1
  • 11
    • 11744252033 scopus 로고
    • Additivity rules for the estimation of molecular properties, thermodynamic properties
    • Benson S.W., and Buss J.H. Additivity rules for the estimation of molecular properties, thermodynamic properties. Journal of Chemical Physics 29 (1958) 546-572
    • (1958) Journal of Chemical Physics , vol.29 , pp. 546-572
    • Benson, S.W.1    Buss, J.H.2
  • 12
    • 33947617349 scopus 로고    scopus 로고
    • Biodiesel from microalgae
    • Chisti Y. Biodiesel from microalgae. Biotechnology advances 25 (2007) 294-306
    • (2007) Biotechnology advances , vol.25 , pp. 294-306
    • Chisti, Y.1
  • 13
    • 0000773271 scopus 로고
    • Estimation of heats of formation of organic compounds by additivity methods
    • Cohen N., and Benson S.W. Estimation of heats of formation of organic compounds by additivity methods. Chemical Reviews 93 7 (1993) 2419-2438
    • (1993) Chemical Reviews , vol.93 , Issue.7 , pp. 2419-2438
    • Cohen, N.1    Benson, S.W.2
  • 14
    • 74149086278 scopus 로고    scopus 로고
    • EN-14214, 2008. Automotive fuels. Fatty acid methyl esters (FAME) for diesel engines. Requirements and test methods
    • EN-14214, 2008. Automotive fuels. Fatty acid methyl esters (FAME) for diesel engines. Requirements and test methods.
  • 15
    • 74149084915 scopus 로고    scopus 로고
    • European Parliament, 2008. Directive of the European Parliament and of the Council on the promotion of the use of energy from renewable sources. PE-CONS 3736/08.
    • European Parliament, 2008. Directive of the European Parliament and of the Council on the promotion of the use of energy from renewable sources. PE-CONS 3736/08.
  • 16
    • 33845660038 scopus 로고    scopus 로고
    • Properties of a potencial biofuel obtained from soybean oil by transmethylation with dimethyl carbonate
    • Fabbri D., Bevoni V., Notari M., and Rivetti F. Properties of a potencial biofuel obtained from soybean oil by transmethylation with dimethyl carbonate. Fuel 86 (2007) 690-697
    • (2007) Fuel , vol.86 , pp. 690-697
    • Fabbri, D.1    Bevoni, V.2    Notari, M.3    Rivetti, F.4
  • 17
    • 0001317989 scopus 로고    scopus 로고
    • Multi-coefficient Gaussian-3 method for calculating potential energy surfaces
    • Fast P.L., Sánchez M.L., and Truhlar D.G. Multi-coefficient Gaussian-3 method for calculating potential energy surfaces. Chemical Physics Letters 306 (1999) 407-410
    • (1999) Chemical Physics Letters , vol.306 , pp. 407-410
    • Fast, P.L.1    Sánchez, M.L.2    Truhlar, D.G.3
  • 19
    • 65549150951 scopus 로고    scopus 로고
    • From residual to useful oil: revalorization of glycerine from the biodiesel synthesis
    • Galán M.I., Bonet J., Sire R., Reneaume J.M., and Plesu A.E. From residual to useful oil: revalorization of glycerine from the biodiesel synthesis. Bioresource Technology 100 (2009) 3775-3778
    • (2009) Bioresource Technology , vol.100 , pp. 3775-3778
    • Galán, M.I.1    Bonet, J.2    Sire, R.3    Reneaume, J.M.4    Plesu, A.E.5
  • 20
    • 0037944657 scopus 로고
    • An evaluation of AM1 calculated vibrational frequencies
    • Healy E.F., and Holder A. An evaluation of AM1 calculated vibrational frequencies. Journal of Molecular Structure 281 (1993) 141-156
    • (1993) Journal of Molecular Structure , vol.281 , pp. 141-156
    • Healy, E.F.1    Holder, A.2
  • 21
    • 18144389839 scopus 로고    scopus 로고
    • Modifying soybean oil for enhanced performance in biodiesel blends
    • Kinney A.J., and Clemente T.E. Modifying soybean oil for enhanced performance in biodiesel blends. Fuel Processing Technology 86 (2005) 1137-1147
    • (2005) Fuel Processing Technology , vol.86 , pp. 1137-1147
    • Kinney, A.J.1    Clemente, T.E.2
  • 22
    • 0036732886 scopus 로고    scopus 로고
    • Structure indices in FA chemistry. How relevant is the iodine value?
    • Knothe G. Structure indices in FA chemistry. How relevant is the iodine value?. Journal of American Oil Chemistry Society 79 9 (2002) 847-854
    • (2002) Journal of American Oil Chemistry Society , vol.79 , Issue.9 , pp. 847-854
    • Knothe, G.1
  • 23
    • 84972939236 scopus 로고
    • Estimation of pure-component properties from group-contributions
    • Joback K.G., and Reid R.C. Estimation of pure-component properties from group-contributions. Chemical Engineering Communications 57 (1987) 233-243
    • (1987) Chemical Engineering Communications , vol.57 , pp. 233-243
    • Joback, K.G.1    Reid, R.C.2
  • 24
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti correlation-energy formula into a functional of a electron-density
    • Lee C., Yang W., and Parr R.G. Development of the Colle-Salvetti correlation-energy formula into a functional of a electron-density. Physical Review B 37 2 (1988) 785-789
    • (1988) Physical Review B , vol.37 , Issue.2 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 25
    • 33646493481 scopus 로고    scopus 로고
    • Determination modified enthalpy of formation of straight alkyl-chained carboxylic acids and esters
    • Liu M.H., and Cheng S.R. Determination modified enthalpy of formation of straight alkyl-chained carboxylic acids and esters. Journal of Molecular Structure 763 (2006) 149-154
    • (2006) Journal of Molecular Structure , vol.763 , pp. 149-154
    • Liu, M.H.1    Cheng, S.R.2
  • 26
    • 33750288467 scopus 로고    scopus 로고
    • Lipase-mediated conversion of vegetable oils into biodiesel using ethyl acetate as acyl acceptor
    • Modi M.M., Reddy J.R.C., Rao B.V.S.K., and Prasad R.B.N. Lipase-mediated conversion of vegetable oils into biodiesel using ethyl acetate as acyl acceptor. Bioresource Technology 98 (2007) 1260-1264
    • (2007) Bioresource Technology , vol.98 , pp. 1260-1264
    • Modi, M.M.1    Reddy, J.R.C.2    Rao, B.V.S.K.3    Prasad, R.B.N.4
  • 30
    • 0011083273 scopus 로고    scopus 로고
    • Harmonic vibrational frequencies: an evaluation of Hartree-Fock, Moller-Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors
    • Scott A.P., and Random L. Harmonic vibrational frequencies: an evaluation of Hartree-Fock, Moller-Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors. Journal of Physical Chemistry A 100 (1996) 16502-16513
    • (1996) Journal of Physical Chemistry A , vol.100 , pp. 16502-16513
    • Scott, A.P.1    Random, L.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.