Noncovalent Interactions in Alkane Chemistry

Mahmudov, Kamran T.; Silva, M. Fátima C. Guedes da; Зубков, Федор И.; Pombeiro, Armando J. L.

doi:10.1002/9781119379256.ch25

Cited by 2 publications

(6 citation statements)

References 83 publications

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“…It has been reported that these interactions can be used in separation, transportation, or storage of alkanes. 44 Our results showed that for both alkanes, complexes formed with PPA-grafted silica were more stable (up to 124%) than complexes formed with PPA. As mentioned, the backbone of PPA is less rigid in PPAgrafted silica compared to that in pure PPA.…”

Section: ■ Materials and Methodsmentioning

confidence: 54%

“…As these alkanes do not have polar heteroatoms such as oxygen or nitrogen, and the alkane C–H bonds have very low acidity and no conventional hydrogen bond was formed in these interactions. However, alkanes can participate in C(alkane)–H···HC, C(alkane)–H···π, and C(alkane)–H···O types of noncovalent interactions in many organic and inorganic associates . Several cyclic and acyclic alkanes have been isolated as solid organic or inorganic associates, combined via noncovalent interactions.…”

Section: Resultsmentioning

confidence: 99%

“…Several cyclic and acyclic alkanes have been isolated as solid organic or inorganic associates, combined via noncovalent interactions. It has been reported that these interactions can be used in separation, transportation, or storage of alkanes . Our results showed that for both alkanes, complexes formed with PPA-grafted silica were more stable (up to 124%) than complexes formed with PPA.…”

Section: Resultsmentioning

confidence: 99%

“…However, alkanes can participate in C(alkane)−H•••HC, C(alkane)− H•••π, and C(alkane)−H•••O types of noncovalent interactions in many organic and inorganic associates. 44 Several cyclic and acyclic alkanes have been isolated as solid organic or inorganic associates, combined via noncovalent interactions. It has been reported that these interactions can be used in separation, transportation, or storage of alkanes.…”

Section: ■ Materials and Methodsmentioning

confidence: 99%

See 3 more Smart Citations

Reducing the Carbon Footprint of Air-Blown Bitumen Using Physisorption

Shariati

Hajikarimi

Rahi

et al. 2022

ACS Sustainable Chem. Eng.

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This research uses experiments and molecular modeling calculations to study the efficacy of using polyphosphoric acid (PPA) grafted to silica to produce airblown bitumen with the desired stiffness at a lower air-blowing time and temperature. Lowering the air-blowing time and temperature leads to reductions in the emitted volatile organic compounds (VOCs), the environmental carbon footprint, and the use of energy and resources. Our experiment showed that using PPA-grafted silica reduced the air-blowing time required to achieve the desired penetration [90 (0.1 mm)] and softening point (45 °C) by up to 29 and 50%, respectively, compared to neat vacuum bottom residue (VBR). Molecular modeling calculations showed that the adsorption of PPA to silica changed the intramolecular hydrogen-bond network in the backbone of PPA and promoted the interaction of PPA-grafted silica with VBR molecules, especially with VOCs. Increased intermolecular interactions facilitate the stiffening of VBR, leading to a lower duration of air blowing. Furthermore, these interactions can directly trap the VOCs and reduce their emission to the environment. The study outcomes show the merits of using PPA-grafted silica to produce the desired bitumen grades while reducing the duration of air blowing, to improve the energy efficiency and reduce the environmental impact of the process.

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Section: ■ Materials and Methodsmentioning

confidence: 54%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: ■ Materials and Methodsmentioning

confidence: 99%

See 2 more Smart Citations

Reducing the Carbon Footprint of Air-Blown Bitumen Using Physisorption

Shariati

Hajikarimi

Rahi

et al. 2022

ACS Sustainable Chem. Eng.

View full text Add to dashboard Cite

show abstract

“…The electrophilic activation of alkanes represents an important strategy for the conversion of saturated hydrocarbons into acids or esters through carbonylation reactions, albeit they typically require high temperature and/or harsh acidic media. 4 Carbenes have also been applied in alkane functionalization with the formation of a C–C bond, mainly upon transition metal-mediated carbene insertion into C–H bonds. 5 Besides alkane carbonylation and carbene insertion reactions, which have been thoroughly reviewed, 4,5 photocatalysis processes in which saturated hydrocarbons are activated either by single electron transfer (SET) or hydrogen atom transfer (HAT) have emerged as a very powerful tool for the direct functionalization of alkanes.…”

Section: Introductionmentioning

confidence: 99%