Computer simulation of asphaltenes

S.V. Lyulin, A.D. Glova, S.G. Falkovich, V. A. Ivanov, V.M. Nazarychev, A. V. Lyulin, S.V. Larin, S.V. Antonov, P. Ganan, J.M. Kenny

Onderzoeksoutput: Bijdrage aan tijdschriftTijdschriftartikelAcademicpeer review

Uittreksel

The review describes theoretical approaches based on computer simulations at various levels of details (from quantum chemical calculations to atomistic and coarse-grained models) to study asphaltenes and systems containing asphaltenes. The used methods are described, their advantages and disadvantages are discussed in terms of computational costs and time- and spatial-scales available for simulations. The results of studies of the asphaltenes interactions with each other and their aggregation behavior in low-molecular solvents are presented. The most promising approaches of computer simulations of asphaltenes-based systems are determined.
TaalEngels
Pagina's983-1004
Aantal pagina's22
TijdschriftPetroleum Chemistry
Volume58
Nummer van het tijdschrift12
DOI's
StatusGepubliceerd - dec 2018

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    Citeer dit

    Lyulin, S. V., Glova, A. D., Falkovich, S. G., Ivanov, V. A., Nazarychev, V. M., Lyulin, A. V., ... Kenny, J. M. (2018). Computer simulation of asphaltenes. Petroleum Chemistry, 58(12), 983-1004. DOI: 10.1134/S0965544118120149
    Lyulin, S.V. ; Glova, A.D. ; Falkovich, S.G. ; Ivanov, V. A. ; Nazarychev, V.M. ; Lyulin, A. V. ; Larin, S.V. ; Antonov, S.V. ; Ganan, P. ; Kenny, J.M./ Computer simulation of asphaltenes. In: Petroleum Chemistry. 2018 ; Vol. 58, Nr. 12. blz. 983-1004
    @article{40ef30b6a452432e98c16587fa2d88e2,
    title = "Computer simulation of asphaltenes",
    abstract = "The review describes theoretical approaches based on computer simulations at various levels of details (from quantum chemical calculations to atomistic and coarse-grained models) to study asphaltenes and systems containing asphaltenes. The used methods are described, their advantages and disadvantages are discussed in terms of computational costs and time- and spatial-scales available for simulations. The results of studies of the asphaltenes interactions with each other and their aggregation behavior in low-molecular solvents are presented. The most promising approaches of computer simulations of asphaltenes-based systems are determined.",
    keywords = "asphaltenes, quantum chemical calculations, computer simulation",
    author = "S.V. Lyulin and A.D. Glova and S.G. Falkovich and Ivanov, {V. A.} and V.M. Nazarychev and Lyulin, {A. V.} and S.V. Larin and S.V. Antonov and P. Ganan and J.M. Kenny",
    year = "2018",
    month = "12",
    doi = "10.1134/S0965544118120149",
    language = "English",
    volume = "58",
    pages = "983--1004",
    journal = "Petroleum Chemistry",
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    publisher = "Maik Nauka-Interperiodica Publishing",
    number = "12",

    }

    Lyulin, SV, Glova, AD, Falkovich, SG, Ivanov, VA, Nazarychev, VM, Lyulin, AV, Larin, SV, Antonov, SV, Ganan, P & Kenny, JM 2018, 'Computer simulation of asphaltenes' Petroleum Chemistry, vol. 58, nr. 12, blz. 983-1004. DOI: 10.1134/S0965544118120149

    Computer simulation of asphaltenes. / Lyulin, S.V.; Glova, A.D.; Falkovich, S.G.; Ivanov, V. A.; Nazarychev, V.M.; Lyulin, A. V.; Larin, S.V.; Antonov, S.V.; Ganan, P.; Kenny, J.M.

    In: Petroleum Chemistry, Vol. 58, Nr. 12, 12.2018, blz. 983-1004.

    Onderzoeksoutput: Bijdrage aan tijdschriftTijdschriftartikelAcademicpeer review

    TY - JOUR

    T1 - Computer simulation of asphaltenes

    AU - Lyulin,S.V.

    AU - Glova,A.D.

    AU - Falkovich,S.G.

    AU - Ivanov,V. A.

    AU - Nazarychev,V.M.

    AU - Lyulin,A. V.

    AU - Larin,S.V.

    AU - Antonov,S.V.

    AU - Ganan,P.

    AU - Kenny,J.M.

    PY - 2018/12

    Y1 - 2018/12

    N2 - The review describes theoretical approaches based on computer simulations at various levels of details (from quantum chemical calculations to atomistic and coarse-grained models) to study asphaltenes and systems containing asphaltenes. The used methods are described, their advantages and disadvantages are discussed in terms of computational costs and time- and spatial-scales available for simulations. The results of studies of the asphaltenes interactions with each other and their aggregation behavior in low-molecular solvents are presented. The most promising approaches of computer simulations of asphaltenes-based systems are determined.

    AB - The review describes theoretical approaches based on computer simulations at various levels of details (from quantum chemical calculations to atomistic and coarse-grained models) to study asphaltenes and systems containing asphaltenes. The used methods are described, their advantages and disadvantages are discussed in terms of computational costs and time- and spatial-scales available for simulations. The results of studies of the asphaltenes interactions with each other and their aggregation behavior in low-molecular solvents are presented. The most promising approaches of computer simulations of asphaltenes-based systems are determined.

    KW - asphaltenes

    KW - quantum chemical calculations

    KW - computer simulation

    U2 - 10.1134/S0965544118120149

    DO - 10.1134/S0965544118120149

    M3 - Article

    VL - 58

    SP - 983

    EP - 1004

    JO - Petroleum Chemistry

    T2 - Petroleum Chemistry

    JF - Petroleum Chemistry

    SN - 0965-5441

    IS - 12

    ER -

    Lyulin SV, Glova AD, Falkovich SG, Ivanov VA, Nazarychev VM, Lyulin AV et al. Computer simulation of asphaltenes. Petroleum Chemistry. 2018 dec;58(12):983-1004. Beschikbaar vanaf, DOI: 10.1134/S0965544118120149