2021
DOI: 10.1016/j.chemosphere.2021.130063
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Synergistic effect of glutaric acid and ammonia/amine/amide on their hydrates in the clustering: A theoretical study

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Cited by 8 publications
(27 citation statements)
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“…These results are consistent with organic clusters investigated in previous studies, such as methylamine–ammonia–sulfuric acid, 50 sulfuric acid–amide, 67 acetic acid–dimethylamine, 51 and glutaric acid–amine hydration clusters. 68 These results suggest that structural effects are related to hydration. The addition of many water molecules increases both its mass and volume and then affects the rates of collisions between clusters.…”
Section: Resultsmentioning
confidence: 89%
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“…These results are consistent with organic clusters investigated in previous studies, such as methylamine–ammonia–sulfuric acid, 50 sulfuric acid–amide, 67 acetic acid–dimethylamine, 51 and glutaric acid–amine hydration clusters. 68 These results suggest that structural effects are related to hydration. The addition of many water molecules increases both its mass and volume and then affects the rates of collisions between clusters.…”
Section: Resultsmentioning
confidence: 89%
“…These results are consistent with SA.W n , 61 DMA.W n , 62 SA.OA.W n , 43 and glutaric acid–ammonia/amine/amide clusters. 68 …”
Section: Resultsmentioning
confidence: 99%
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“…Amine complexation to form molecular clusters with acid molecules should also be considered when investigating NPF. , Elm et al demonstrated that complexes of H 2 SO 4 and base compounds are stabilized more efficiently by diamines than by monoamines because of the presence of a second amino group . They calculated free energy values for sulfate complex formation of −22.8 kJ/mol for NH 3 , −46.4 kJ/mol for DMA, and −62.3 kJ/mol for Dap at 298.15 K. Furthermore, longer-chain diamines are known to form more stable sulfate complexes (free energy for complex formation: −46.4 kJ/mol for ethylenediamine; −62.3 kJ/mol for Dap; −64.4 kJ/mol for Put).…”
Section: Resultsmentioning
confidence: 99%