Computing a Closed Formula of the Wiener Index of the Polycyclic Aromatic Hydrocarbons PAHk by Using the Cut Method

2017 ◽  
Vol 14 (7) ◽  
pp. 3636-3640
Author(s):  
Xu Li ◽  
Mohammad R Farahani ◽  
Mehdi Rezaei ◽  
Muhammad K Siddiqui ◽  
Jia-Bao Liu ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Wiener Index ◽  
Closed Formula ◽  
Cut Method ◽  
Polycyclic Aromatic

scholarly journals Wiener Index of Edge Thorny Graphs of Catacondensed Benzenoids

Mathematics ◽  
2020 ◽  
Vol 8 (4) ◽  
pp. 467
Author(s):  
Andrey A. Dobrynin ◽  
Ali Iranmanesh
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Topological Index ◽  
Perfect Matching ◽  
Molecular Graph ◽  
Wiener Index ◽  
Benzenoid Graph ◽  
Polycyclic Aromatic ◽  
Distance Properties ◽  
Sum Of Distances

The Wiener index is a topological index of a molecular graph, defined as the sum of distances between all pairs of its vertices. Benzenoid graphs include molecular graphs of polycyclic aromatic hydrocarbons. An edge thorny graph G is constructed from a catacondensed benzenoid graph H by attaching new graphs to edges of a perfect matching of H. A formula for the Wiener index of G is derived. The index of the resulting graph does not contain distance characteristics of elements of H and depends on the Wiener index of H and distance properties of the attached graphs.

scholarly journals Computing Eccentric Version of Second Zagreb Index of Polycyclic Aromatic Hydrocarbons (PAHk)

2016 ◽  
Vol 1 (1) ◽  
pp. 247-252 ◽  
Author(s):  
Muhammad Kamran Jamil ◽  
Mohammad Reza Farahani ◽  
Muhammad Imran ◽  
Mehar Ali Malik
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Closed Formula ◽  
Zagreb Index ◽  
Zagreb Indices ◽  
Second Zagreb Index ◽  
Polycyclic Aromatic

AbstractA Recently, Ghorbani et. al. introduced the eccentric versions of first and second Zagreb indices called third and fourth Zagreb indices defined asM3 (G) = Σuv∊E(G) (ε (u) + ε (ν)) and M4 (G) = Σν∊V(G)ε (ν)2, respectively, where ε (ν)is the eccentricity of the vertex ν. In this paper, we compute the closed formula for third Zagreb index of Polycyclic Aromatic Hydrocarbons (PAHk).

The Assessment of Contamination and Source of Polycyclic Aromatic Hydrocarbons from the Sediments of the Someş River

2019 ◽  
Vol 64 (1) ◽  
pp. 55-67
Author(s):  
Vlad Pӑnescu ◽  
◽  
Mihaela Cӑtӑlina Herghelegiu ◽  
Sorin Pop ◽  
Mircea Anton ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Polycyclic Aromatic

1,1’-Biaceanthrylene and 2,2'-Biaceanthrylene: Models for Linking Larger Polycyclic Aromatic Hydrocarbons via Five-Membered Rings

2019 ◽  
Author(s):  
Yachu Du ◽  
Kyle Plunkett
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Polycyclic Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbon ◽  
Electronic Properties ◽  
Aromatic Hydrocarbons ◽  
Model Systems ◽  
Redox Potentials ◽  
Dimer Model ◽  
Optical And Electronic Properties ◽  
Polycyclic Aromatic

We show that polycyclic aromatic hydrocarbon (PAH) chromophores that are linked between two five-membered rings can access planarized structures with reduced optical gaps and redox potentials. Two aceanthrylene chromophores were connected into dimer model systems with the chromophores either projected outward (2,2’-biaceanthrylene) or inward (1,1’-biaceanthrylene) and the optical and electronic properties were compared. Only the planar 2,2’-biaceanthrylene system showed significant reductions of the optical gaps (1 eV) and redox potentials in relation to the aceanthrylene monomer.<br>

1,1’-Biaceanthrylene and 2,2'-Biaceanthrylene: Models for Linking Larger Polycyclic Aromatic Hydrocarbons via Five-Membered Rings

2019 ◽  
Author(s):  
Yachu Du ◽  
Kyle Plunkett
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Polycyclic Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbon ◽  
Electronic Properties ◽  
Aromatic Hydrocarbons ◽  
Model Systems ◽  
Redox Potentials ◽  
Dimer Model ◽  
Optical And Electronic Properties ◽  
Polycyclic Aromatic

We show that polycyclic aromatic hydrocarbon (PAH) chromophores that are linked between two five-membered rings can access planarized structures with reduced optical gaps and redox potentials. Two aceanthrylene chromophores were connected into dimer model systems with the chromophores either projected outward (2,2’-biaceanthrylene) or inward (1,1’-biaceanthrylene) and the optical and electronic properties were compared. Only the planar 2,2’-biaceanthrylene system showed significant reductions of the optical gaps (1 eV) and redox potentials in relation to the aceanthrylene monomer.<br>

EMISSION OF POLYCYCLIC AROMATIC HYDROCARBONS CONTAINED IN COMBUSTION PRODUCTS OF GASOLINE ENGINES

2018 ◽  
Vol 62 (3) ◽  
pp. 341-346 ◽  
Author(s):  
M. Assad ◽  
V. V. Grushevski ◽  
O. G. Penyazkov ◽  
I. N. Tarasenko
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
High Speed ◽  
Internal Combustion Engines ◽  
Catalytic Converter ◽  
Combustion Products ◽  
Chromatography Method ◽  
Exhaust Gases ◽  
Polycyclic Aromatic ◽  
Load Mode

The concentration of 16 polycyclic aromatic hydrocarbons (PAHs) in the gasoline combustion products emitted into the atmosphere by internal combustion engines (ICE) has been measured using the gas chromatography method. The concentrations of PAHs in the exhaust gases sampled behind a catalytic converter has been determined when the ICE operates in five modes: idle mode, high speed mode, load mode, ICE cold start mode (engine warm-up) and transient mode. Using 92 RON, 95 RON and 98 RON gasoline the effect of the octane number of gasoline on the PAHs content in the exhaust gases has been revealed. The concentration of the most carcinogenic component (benzo(α)pyrene) in the exhaust gases behind a catalytic converter significantly exceeds a reference value of benzo(α)pyrene in the atmospheric air established by the WHO and the EU for ICE in the load mode.

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