Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Samaneh Barani Pour"'
Publikováno v:
Results in Chemistry, Vol 12, Iss , Pp 101907- (2024)
The density functional theory (DFT) method at the B3LYP/6-311++G (2d, 2p) level was used to compute the optimized structures of 1-aminophethalazine (I) derived Schiff bases of pyrrole alkyl ketones (II). In these Schiff bases (III, IV) each of the C
Externí odkaz:
https://doaj.org/article/66de28605b234e5aa36aecbe6466df35
Autor:
Samaneh Barani Pour, Mitra Dabbagh Hosseini pour, Jaber Jahanbin Sardroodi, Alireza Rastkar Ebrahimzadeh, Gholamreza Pazuki, Mohammad Sadegh Avestan
Publikováno v:
Chemical Engineering Journal Advances, Vol 20, Iss , Pp 100646- (2024)
In the present study, quaternary ammonium salts (QAS) and caprylic acid based deep eutectic solvents (DES) were employed for the separation of CO2 and H2S from natural gas (NG). To elucidate the extraction mechanisms of H2S from natural gas (NG), we
Externí odkaz:
https://doaj.org/article/39a13579c60b47faae1e1187f764c020
Autor:
Samaneh Barani Pour, Jaber Jahanbin Sardroodi, Alireza Rastkar Ebrahimzadeh, Gholamreza Pazuki, Vahideh Hadigheh Rezvan
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-18 (2024)
Abstract In this work, intermolecular interactions among the species of fatty acids-based DESs with different hydrogen bond acceptors (HBA) in the adjacent water have been investigated using molecular dynamics (MD) simulation. The results of this wor
Externí odkaz:
https://doaj.org/article/424dad9af54d45969d2fd1e6453f5522
Autor:
Samaneh Barani pour, Jaber Jahanbin Sardroodi, Alireza Rastkar Ebrahimzadeh, Gholamreza Pazuki
Publikováno v:
Scientific Reports, Vol 13, Iss 1, Pp 1-18 (2023)
Abstract In this work, we focused on the interaction between hydrogen bond acceptor (HBA) and hydrogen bond doner (HBD) in the binary mixtures. The results showed that Cl− anion plays a key role in the formation of DESs. Also, the structural stabil
Externí odkaz:
https://doaj.org/article/73d0e03d03514685b2b5df64df3a2fe6
Autor:
Samaneh Barani pour, Jaber Jahanbin Sardroodi, Alireza Rastkar Ebrahimzadeh, Mohammad Sadegh Avestan
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-15 (2022)
Abstract The structural and dynamical properties of the binary mixture of Menthol (MEN) and Fatty acids (FAs) were investigated using molecular dynamics simulations. To this end, the relationship between the structural and dynamical properties of the
Externí odkaz:
https://doaj.org/article/9c3c31f8c5664223aed44c90da0888f1
Autor:
Samaneh Barani Pour, Jaber Jahanbin Sardroodi, Alireza Rastkar Ebrahimzadeh, gholam reza pazuki
DESs based on fatty acids are potential candidates for removing pollutants from aqueous environments. However, the structural properties must manifest the stability of DESs in the adjacent water. In this work, the structural stability of the binary m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e2cd009fffc0d07177721a83b1a8ef30
https://doi.org/10.21203/rs.3.rs-2411089/v1
https://doi.org/10.21203/rs.3.rs-2411089/v1
Autor:
Samaneh Barani Pour, Jaber Jahanbin Sardroodi, Alireza Rastkar Ebrahimzadeh, Mohammad Sadegh Avestan
Publikováno v:
ChemistrySelect. 7
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b66cdeeda3564b05090c176c1017d5e8
https://doi.org/10.1002/slct.202202591
https://doi.org/10.1002/slct.202202591
The structural and dynamical properties of the binary mixture of Menthol (MEN) and Fatty acids (FAs) were investigated using molecular dynamics simulations. We focused on the relationship between the structural and dynamical properties of the eutecti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::478b8e30bb1db2eeeeb489f25ec6dbe1
https://doi.org/10.21203/rs.3.rs-1083302/v1
https://doi.org/10.21203/rs.3.rs-1083302/v1
Autor:
Samaneh Barani pour, Jaber Jahanbin Sardroodi, Alireza Rastkar Ebrahimzadeh, Mohammad Sadegh Avestan
Publikováno v:
Scientific reports. 12(1)
The structural and dynamical properties of the binary mixture of Menthol (MEN) and Fatty acids (FAs) were investigated using molecular dynamics simulations. To this end, the relationship between the structural and dynamical properties of the eutectic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::782bf7be3e0a9e49a3758fc5dafb2eaf
https://pubmed.ncbi.nlm.nih.gov/35338215
https://pubmed.ncbi.nlm.nih.gov/35338215
Publikováno v:
Journal of Molecular Graphics and Modelling. 114:108180
Hydrophobic deep eutectic solvents (HDES) composed of Terpenes and Fatty acids have recently been the subject of great interest for removing pollutants from an aqueous environment. Despite the specific application of Hydrophobic DES and the important
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a848842b7421eab10bdb4b9dc6792fb0
https://doi.org/10.1016/j.jmgm.2022.108180
https://doi.org/10.1016/j.jmgm.2022.108180