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Pregled bibliografske jedinice broj: 1114138

Multiscale modeling of solvent extraction and the choice of reference state: Mesoscopic modeling as a bridge between nanoscale and chemical engineering

Špadina, Mario; Bohinc, Klemen
Multiscale modeling of solvent extraction and the choice of reference state: Mesoscopic modeling as a bridge between nanoscale and chemical engineering // Current Opinion in Colloid & Interface Science, 46 (2020), 94-113 doi:10.1016/j.cocis.2020.03.011 (međunarodna recenzija, pregledni rad, ostalo)

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Naslov
Multiscale modeling of solvent extraction and the choice of reference state: Mesoscopic modeling as a bridge between nanoscale and chemical engineering

Autori
Špadina, Mario ; Bohinc, Klemen

Izvornik
Current Opinion in Colloid & Interface Science (1359-0294) 46 (2020); 94-113

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, pregledni rad, ostalo

Ključne riječi
Solvent extraction ; Multicomponent systems ; Reference state ; Complexation ; Aggregation ; Phase structuring

Sažetak
This article highlights current paradigms and challenges in modeling of lanthanides and actinides solvent extraction by lipophilic extractants. Within the multiscale approach, complex phenomena that occur in solvent systems can be rationalized at different length scales. Strengths and drawbacks of quantum and classical simulations, as well as mesoscopic modeling, are presented. In the multiscale modeling, the definition of standard states is of paramount importance because it dictates the amount of collective effects included within calculations. Mesoscopic modeling of the transfer and the aggregation free energies can be used to successfully predict properties of extraction systems at phenomenological scale and to assist chemical engineering of separation industry.

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija



POVEZANOST RADA

Profili:

Avatar Url Mario Špadina (autor)

Poveznice na cjeloviti tekst rada:

doi

Citiraj ovu publikaciju:

Špadina, Mario; Bohinc, Klemen
Multiscale modeling of solvent extraction and the choice of reference state: Mesoscopic modeling as a bridge between nanoscale and chemical engineering // Current Opinion in Colloid & Interface Science, 46 (2020), 94-113 doi:10.1016/j.cocis.2020.03.011 (međunarodna recenzija, pregledni rad, ostalo)
Špadina, M. & Bohinc, K. (2020) Multiscale modeling of solvent extraction and the choice of reference state: Mesoscopic modeling as a bridge between nanoscale and chemical engineering. Current Opinion in Colloid & Interface Science, 46, 94-113 doi:10.1016/j.cocis.2020.03.011.
@article{article, author = {\v{S}padina, Mario and Bohinc, Klemen}, year = {2020}, pages = {94-113}, DOI = {10.1016/j.cocis.2020.03.011}, keywords = {Solvent extraction, Multicomponent systems, Reference state, Complexation, Aggregation, Phase structuring}, journal = {Current Opinion in Colloid and Interface Science}, doi = {10.1016/j.cocis.2020.03.011}, volume = {46}, issn = {1359-0294}, title = {Multiscale modeling of solvent extraction and the choice of reference state: Mesoscopic modeling as a bridge between nanoscale and chemical engineering}, keyword = {Solvent extraction, Multicomponent systems, Reference state, Complexation, Aggregation, Phase structuring} }
@article{article, author = {\v{S}padina, Mario and Bohinc, Klemen}, year = {2020}, pages = {94-113}, DOI = {10.1016/j.cocis.2020.03.011}, keywords = {Solvent extraction, Multicomponent systems, Reference state, Complexation, Aggregation, Phase structuring}, journal = {Current Opinion in Colloid and Interface Science}, doi = {10.1016/j.cocis.2020.03.011}, volume = {46}, issn = {1359-0294}, title = {Multiscale modeling of solvent extraction and the choice of reference state: Mesoscopic modeling as a bridge between nanoscale and chemical engineering}, keyword = {Solvent extraction, Multicomponent systems, Reference state, Complexation, Aggregation, Phase structuring} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus

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