K. Khairou | Umm Al-Qura University, Makkah, Saudi Arabia (original) (raw)

Papers by K. Khairou

Research paper thumbnail of Fabrication of Ag nanoparticles modified TiO2–CNT heterostructures for enhanced visible light photocatalytic degradation of organic pollutants and bacteria.

TiO 2 synthesized using polymeric template consisting of polyethylene glycol and polyvinyl alcoho... more TiO 2 synthesized using polymeric template consisting of polyethylene glycol and polyvinyl alcohol (Tev) and loaded with different wt% of Ag (2%, 6%) was exploited to create covalent bonds with carboxylate functionalized SWCNT/MWCNT moieties. The synthesized Ag free Tev-SWCNTs as well as Ag containing Tev-SWCNTs/MWCNTs have been characterized by UV-visible diffuse reflectance, powder XRD, HRTEM, and selected area electron diffraction (SAED), photoluminescence, Raman, FTIR and N 2 sorptiometry. The materials containing Ag displayed high photocatalytic activity towards degradation of rhodamine B dye under visible irradiation (l max > 450 nm). Specifically TevAg 6 -SWCNT has shown the best performance (0.3 g/l catalyst, 20 ppm RhB conc. and 80 min reaction time) due to the synergistic effects derived from TiO 2 /Ag /SWCNT heteroarchitectures. The antibacterial activity of synthesized photocatalysts; under visible light irradiations, towards Escherichia coli and Staphylococcus aureus was tested by performing bacterial DNA and agar well diffusion method. The results revealed that TevAg 6 -SWCNT was able to effectively kill both gram-positive and gram-negative bacteria. Although TevAg 6 -SWCNT indicated higher E g values (1.9 eV) than TevAg 2 -MWCNT (1.75 cV) and they both exposed not only Ag nanoparticles but also Ag 2 O, the former sample confirmed more lethal action against bacterial growth as well as superior photodegradation activity. This was due to delaying the recombination of electrons and holes, increasing the S BET value as well as decreasing the spherical nanoparticles of Ag to 3 nm diameter. The mechanisms of the dye degradation and destruction of bacterial cell membranes indicate the efficacy of OH and O 2 À as reactive radical intermediates in both processes.

Research paper thumbnail of Thermal degradation of poly(acryloyl chloride) and copolymers of acryloyl chloride with methyl acrylate

Polymer Degradation and Stability, 1994

ABSTRACT

Research paper thumbnail of Stability and degradation of poly(4-vinylpyridine) and copolymers of 4-vinylpyridine with methyl methacrylate

Polymer Degradation and Stability, 1994

ABSTRACT

Research paper thumbnail of Theoretical investigations of the stability of degradation products of polystyrene and poly(4-vinylpyridine)

Polymer Degradation and Stability, 1994

The products of thermal degradation of polystyrene and poly(4-vinylpyridine) have been rationaliz... more The products of thermal degradation of polystyrene and poly(4-vinylpyridine) have been rationalized using ASED-MO theory. The calculations explain the formation.

Research paper thumbnail of Acid-catalyzed oxidation of some sulfated polysaccharidesKinetics and mechanism of oxidation of kappa-carrageenan by cerium(IV) in aqueous perchlorate solutions

Journal of Molecular Catalysis A: Chemical, 2010

... 309 (2009) 95-102; GA Ahmed, A. Fawzy, RM Hassan, Carbohydr. Res. 342 (2007) 1382-1386. [10] ... more ... 309 (2009) 95-102; GA Ahmed, A. Fawzy, RM Hassan, Carbohydr. Res. 342 (2007) 1382-1386. [10] MI Abdel-Hamid, GA Ahmed, RM Hassan, Eur. Polym. J. 37 (2001) 2201-2206. ... Int. 31 (1993) 81-86. [29] MG Adamson, FS Dainton, P. Glenworth, Trans. Farad. Soc. 689 (1965). ...

Research paper thumbnail of Fabrication and characterization of bimetallic Pt–Au nanowires supported on FSM-16 and their catalytic activities toward water–gas shift reaction

Journal of Colloid and Interface Science, 2011

A facile, previously unexplored, method to synthesize bimetallic Pt-Au nanowires (20nm diameter×1... more A facile, previously unexplored, method to synthesize bimetallic Pt-Au nanowires (20nm diameter×120-170nm long) on mesoporous FSM-16 (2.7nm) was fabricated by co-impregnation of H(2)PtCl(6) with HAuCl(4) followed by evacuation at 300K and finally exposure to the CO/H(2)O gas mixture (60:5Torr) at 323K for 1.0h. On the other hand, spherical monometallic nanoparticles of pure Pt (7.0nm diameter) and Au (7-26nm diameter) were synthesized as well, by impregnation, at the same reaction conditions. The catalysts were characterized by in situ FTIR spectroscopy, UV-vis absorption spectroscopy, TEM, TPR and TPCOR. The catalytic activities toward the water-gas shift reaction (WGSR) were also examined under atmospheric pressure and at the margin of 323-373K. The optical absorption spectra showed a remarkable shift and broadening of Pt-Au surface Plasmon resonance band at 515nm apart from those of individual analogue emphasizing bimetallic formation. Results from in situ FTIR spectroscopy indicated that incorporation of Au assisted and stabilized the formation of carbonyl clusters of Pt-Au-CO (2084cm(-1)) and Pt-CO (1888cm(-1)) inside the host FSM-16. The Pt-Au carbonyl clusters built up at the moment of vanishing the linear carbonyl band of the charged Au (Au(+)-CO, 2186cm(-1)) along with a concomitant increase in the reduced gold (Au(0)-CO, 2124cm(-1)) species. TPR profiles showed that the H(2) consumed was higher for Pt/FSM-16 than for Pt-Au/FSM-16 verifying the facile reduction of Pt moieties after addition of Au. The CO adsorption peak maximum, in TPCOR, for Pt/FSM-16 occurred at higher temperature than that of Pt-Au/FSM-16, which exhibited higher amounts of CO(2) produced. The relative decrease in CO bindings on bimetallic surface was responsible for increasing the CO oxidation activity mainly through an association mechanism. Accordingly, the activity of Pt-Au/FSM-16 towards WGS showed a marked increase (8-23 times) compared with those of monometallics emphasizing the dependence of this reaction on the electronic defects of the nanowires. A straightforward reduction mechanism was deduced for Pt-Au alloy formation in view of the results obtained.

Research paper thumbnail of Physicochemical Studies on some Cross-linked Trivalent Metal-alginate Complexes especially the Electrical Conductivity and Chemical Equilibrium related to the Coordination Geometry

High Performance Polymers, 2010

The electrical conductivity of cross-linked lanthanum(III)- and cerium(III)-alginate complexes in... more The electrical conductivity of cross-linked lanthanum(III)- and cerium(III)-alginate complexes in the form of circular discs has been studied as a function of temperature. The Arrhenius plots of log σ versus 1/ T showed a sharp increase in the electrical conductivity values at elevated temperatures, whereas no changes in σ values were observed at lower temperatures (< 450 K). This behavior

Research paper thumbnail of Morphological Characteristics of Gold Nanowires and Nanoparticles: Structure Elucidation and Reactivity Toward Water-gas Shift Reaction

Energy & Fuels, 2009

... Mohamed Mokhtar Mohamed*† and KS Khairou‡. † Department of Chemistry, Faculty of Science, Ben... more ... Mohamed Mokhtar Mohamed*† and KS Khairou‡. † Department of Chemistry, Faculty of Science, Benha University, Benha, Egypt. ‡ Department of Chemistry, College of Applied Science, Umm Al-Qura University, Makah, Saudi Arabia. ... 1. El-Sayed, MA Acc. Chem. Res. ...

Research paper thumbnail of Carbon nanotube/titanium nanotube composites loaded platinumnanoparticles as high performance photocatalysts

tThe multi-walled carbon nanotubes, titania nanotubes, and Pt metal (Pt/TNT-MWCT) hybrids; syn-th... more tThe multi-walled carbon nanotubes, titania nanotubes, and Pt metal (Pt/TNT-MWCT) hybrids; syn-thesized via hydrothermal-deposition methods, were tested toward photocatalytic degradation ofmethylene blue (MB) dye under visible light ( > 420 nm) in comparison with the binary hybrid Pt/TNTand Pt/graphene photocatalysts. These catalysts were characterized using X-ray diffraction (XRD), UV–visdiffuse reflectance (DRUV–vis), Fourier transform infrared spectroscopy (FTIR), N2sorptiometry, pho-toluminescence (PL) spectroscopy and transmission electron microscopy (TEM) attached with energydispersive X-ray spectroscopy (EDX). DRUV–vis analysis confirmed the enhancement in the absorptionof Pt/TNT following MWCNT incorporation. TEM images showed the coverage of MWCNTs by brookiteTNT that has been substantiated by EDX. The higher photo-activity of Pt/TNT-MWCNT (100% degra-dation in 140 min under visible irradiation) was attributable to the better contact between MWCNTand TNT; exhibited via formation of the Ti O C bond, which promoted the charge separation andelectron transportation. Reduced charge recombination was evidenced for Pt containing samples and afurther reduction was existed following MWCNTs incorporation; as investigated by PL measurements. Theadsorption of MB by MWCNTs played major role in the removal efficiency. On the other hand, Pt/graphenepresented appreciable activity, however, lower than Pt/TNT-MWCNT both in UV and vis light spectralregions due to decreasing the photocatalytic effect of the former than that of the latter. A mechanism forthe MB oxidation was proposed based on the obtained results.

Research paper thumbnail of Unprecedented high photocatalytic activity of nanocrystalline WO3/NiWO4 hetero-junction towards dye degradation: Effect of template and synthesis conditions

ABSTRACT Nanocrystalline NiWO4 wolframite structure has been prepared by a simple salt solution a... more ABSTRACT Nanocrystalline NiWO4 wolframite structure has been prepared by a simple salt solution addition (NiW1SS), co-precipitation (NiW4Cop) and sol–gel (NiW4SG) techniques via employing polymeric templates particularly polyethylene glycol (PEG) and triblock copolymer, respectively. The synthesis method as well as the metal molar ratio (W/Ni) influenced the phases, morphology, optical and surface properties of synthesized samples as configured by X-ray diffraction, transmission electron microscopy, UV–vis diffuse reflectance spectroscopy, infrared spectroscopy, X-ray photoelectron spectroscopy and N2 sorptiometry techniques. Accordingly, the NiW1SS material that exposed only NiWO4 of nano-plate shape at a molar ratio (W/Ni) 1 indicates higher surface texturing values (SBET = 52.6 m2/g, Vp = 0.2061 cm3/g and r = 15.7 nm) exceeding those of NiW4Cop (SBET = 15.07 m2/g, Vp = 0.0491 cm3/g and r = 13.0 nm) of anisotropic shapes (hexagonal and tetragonal); synthesized at a ratio of 4 and by the same template (PEG). The NiW1SS material indicated Eg value of 2.23 eV whereas that of NiW4Cop revealed a value of 2.92 eV. On the other hand, NiW4SG that exposed well crystallized WO3 beside NiWO4 of nano-flakes shape and an average diameter of 25 nm indicates Eg value of 2.56 eV and in addition evokes the formation of narrow pore size distribution in mesopores range (2–12 nm) as well as in macropores (60 nm) exploring the effect of template type on the pore texturing. Photodegradation of methylene blue (MB) dye was used to evaluate the photoactivity of NiWO4 catalysts under UV irradiations. The NiW4SG catalyst exhibited the best degradation performance (92.5% for MB after 5 h). The results showed that the feasibility of MB degradation was not only due to morphological properties but also to the NiWO4/WO3 heterojunction. Significantly, WO3 facilitates effective charge separation as traced by the photoluminescence emission spectra.

Research paper thumbnail of Adsorption of <I>n</I>-Alkyl Derivatives on Single Walled Carbon Nanotubes (Theoretical Approach)

Journal of Computational and Theoretical Nanoscience, 2014

ABSTRACT Effect of tubule diameter and tubule length on atomic and electronic charge distribution... more ABSTRACT Effect of tubule diameter and tubule length on atomic and electronic charge distribution on SWCNTs single walled carbon nanotubes SWCNTs zigzag (5, 0), (10, 0) and (15, 0) is investigated. Atomic and electronic structures of designed series are studied using AM1 semi-empirical method (Hyper Chem 8.04). Effect of different chain lengths on adsorption of n-alkyl derivatives such as n-alkane, alcohols, aldehydes, fatty acids, alkyl sulphonic acids and alkyl amine compounds on SWCNTs (5, 0) having 1.554 nm tubule length is studied. Adsorption of one molecule on SWCNT (5, 0) having tubule length 1.554 nm was performed using molecular mechanics MM+ and molecular dynamics. The obtained data reveals that the energy of adsorption increases as the length of alkyl chain increases. It is dependent on electronegativity of the terminal group.

Research paper thumbnail of Fabrication of Ag nanoparticles modified TiO2–CNT heterostructures for enhanced visible light photocatalytic degradation of organic pollutants and bacteria.

TiO 2 synthesized using polymeric template consisting of polyethylene glycol and polyvinyl alcoho... more TiO 2 synthesized using polymeric template consisting of polyethylene glycol and polyvinyl alcohol (Tev) and loaded with different wt% of Ag (2%, 6%) was exploited to create covalent bonds with carboxylate functionalized SWCNT/MWCNT moieties. The synthesized Ag free Tev-SWCNTs as well as Ag containing Tev-SWCNTs/MWCNTs have been characterized by UV-visible diffuse reflectance, powder XRD, HRTEM, and selected area electron diffraction (SAED), photoluminescence, Raman, FTIR and N 2 sorptiometry. The materials containing Ag displayed high photocatalytic activity towards degradation of rhodamine B dye under visible irradiation (l max > 450 nm). Specifically TevAg 6 -SWCNT has shown the best performance (0.3 g/l catalyst, 20 ppm RhB conc. and 80 min reaction time) due to the synergistic effects derived from TiO 2 /Ag /SWCNT heteroarchitectures. The antibacterial activity of synthesized photocatalysts; under visible light irradiations, towards Escherichia coli and Staphylococcus aureus was tested by performing bacterial DNA and agar well diffusion method. The results revealed that TevAg 6 -SWCNT was able to effectively kill both gram-positive and gram-negative bacteria. Although TevAg 6 -SWCNT indicated higher E g values (1.9 eV) than TevAg 2 -MWCNT (1.75 cV) and they both exposed not only Ag nanoparticles but also Ag 2 O, the former sample confirmed more lethal action against bacterial growth as well as superior photodegradation activity. This was due to delaying the recombination of electrons and holes, increasing the S BET value as well as decreasing the spherical nanoparticles of Ag to 3 nm diameter. The mechanisms of the dye degradation and destruction of bacterial cell membranes indicate the efficacy of OH and O 2 À as reactive radical intermediates in both processes.

Research paper thumbnail of Thermal degradation of poly(acryloyl chloride) and copolymers of acryloyl chloride with methyl acrylate

Polymer Degradation and Stability, 1994

ABSTRACT

Research paper thumbnail of Stability and degradation of poly(4-vinylpyridine) and copolymers of 4-vinylpyridine with methyl methacrylate

Polymer Degradation and Stability, 1994

ABSTRACT

Research paper thumbnail of Theoretical investigations of the stability of degradation products of polystyrene and poly(4-vinylpyridine)

Polymer Degradation and Stability, 1994

The products of thermal degradation of polystyrene and poly(4-vinylpyridine) have been rationaliz... more The products of thermal degradation of polystyrene and poly(4-vinylpyridine) have been rationalized using ASED-MO theory. The calculations explain the formation.

Research paper thumbnail of Acid-catalyzed oxidation of some sulfated polysaccharidesKinetics and mechanism of oxidation of kappa-carrageenan by cerium(IV) in aqueous perchlorate solutions

Journal of Molecular Catalysis A: Chemical, 2010

... 309 (2009) 95-102; GA Ahmed, A. Fawzy, RM Hassan, Carbohydr. Res. 342 (2007) 1382-1386. [10] ... more ... 309 (2009) 95-102; GA Ahmed, A. Fawzy, RM Hassan, Carbohydr. Res. 342 (2007) 1382-1386. [10] MI Abdel-Hamid, GA Ahmed, RM Hassan, Eur. Polym. J. 37 (2001) 2201-2206. ... Int. 31 (1993) 81-86. [29] MG Adamson, FS Dainton, P. Glenworth, Trans. Farad. Soc. 689 (1965). ...

Research paper thumbnail of Fabrication and characterization of bimetallic Pt–Au nanowires supported on FSM-16 and their catalytic activities toward water–gas shift reaction

Journal of Colloid and Interface Science, 2011

A facile, previously unexplored, method to synthesize bimetallic Pt-Au nanowires (20nm diameter×1... more A facile, previously unexplored, method to synthesize bimetallic Pt-Au nanowires (20nm diameter×120-170nm long) on mesoporous FSM-16 (2.7nm) was fabricated by co-impregnation of H(2)PtCl(6) with HAuCl(4) followed by evacuation at 300K and finally exposure to the CO/H(2)O gas mixture (60:5Torr) at 323K for 1.0h. On the other hand, spherical monometallic nanoparticles of pure Pt (7.0nm diameter) and Au (7-26nm diameter) were synthesized as well, by impregnation, at the same reaction conditions. The catalysts were characterized by in situ FTIR spectroscopy, UV-vis absorption spectroscopy, TEM, TPR and TPCOR. The catalytic activities toward the water-gas shift reaction (WGSR) were also examined under atmospheric pressure and at the margin of 323-373K. The optical absorption spectra showed a remarkable shift and broadening of Pt-Au surface Plasmon resonance band at 515nm apart from those of individual analogue emphasizing bimetallic formation. Results from in situ FTIR spectroscopy indicated that incorporation of Au assisted and stabilized the formation of carbonyl clusters of Pt-Au-CO (2084cm(-1)) and Pt-CO (1888cm(-1)) inside the host FSM-16. The Pt-Au carbonyl clusters built up at the moment of vanishing the linear carbonyl band of the charged Au (Au(+)-CO, 2186cm(-1)) along with a concomitant increase in the reduced gold (Au(0)-CO, 2124cm(-1)) species. TPR profiles showed that the H(2) consumed was higher for Pt/FSM-16 than for Pt-Au/FSM-16 verifying the facile reduction of Pt moieties after addition of Au. The CO adsorption peak maximum, in TPCOR, for Pt/FSM-16 occurred at higher temperature than that of Pt-Au/FSM-16, which exhibited higher amounts of CO(2) produced. The relative decrease in CO bindings on bimetallic surface was responsible for increasing the CO oxidation activity mainly through an association mechanism. Accordingly, the activity of Pt-Au/FSM-16 towards WGS showed a marked increase (8-23 times) compared with those of monometallics emphasizing the dependence of this reaction on the electronic defects of the nanowires. A straightforward reduction mechanism was deduced for Pt-Au alloy formation in view of the results obtained.

Research paper thumbnail of Physicochemical Studies on some Cross-linked Trivalent Metal-alginate Complexes especially the Electrical Conductivity and Chemical Equilibrium related to the Coordination Geometry

High Performance Polymers, 2010

The electrical conductivity of cross-linked lanthanum(III)- and cerium(III)-alginate complexes in... more The electrical conductivity of cross-linked lanthanum(III)- and cerium(III)-alginate complexes in the form of circular discs has been studied as a function of temperature. The Arrhenius plots of log σ versus 1/ T showed a sharp increase in the electrical conductivity values at elevated temperatures, whereas no changes in σ values were observed at lower temperatures (&amp;amp;lt; 450 K). This behavior

Research paper thumbnail of Morphological Characteristics of Gold Nanowires and Nanoparticles: Structure Elucidation and Reactivity Toward Water-gas Shift Reaction

Energy & Fuels, 2009

... Mohamed Mokhtar Mohamed*† and KS Khairou‡. † Department of Chemistry, Faculty of Science, Ben... more ... Mohamed Mokhtar Mohamed*† and KS Khairou‡. † Department of Chemistry, Faculty of Science, Benha University, Benha, Egypt. ‡ Department of Chemistry, College of Applied Science, Umm Al-Qura University, Makah, Saudi Arabia. ... 1. El-Sayed, MA Acc. Chem. Res. ...

Research paper thumbnail of Carbon nanotube/titanium nanotube composites loaded platinumnanoparticles as high performance photocatalysts

tThe multi-walled carbon nanotubes, titania nanotubes, and Pt metal (Pt/TNT-MWCT) hybrids; syn-th... more tThe multi-walled carbon nanotubes, titania nanotubes, and Pt metal (Pt/TNT-MWCT) hybrids; syn-thesized via hydrothermal-deposition methods, were tested toward photocatalytic degradation ofmethylene blue (MB) dye under visible light ( > 420 nm) in comparison with the binary hybrid Pt/TNTand Pt/graphene photocatalysts. These catalysts were characterized using X-ray diffraction (XRD), UV–visdiffuse reflectance (DRUV–vis), Fourier transform infrared spectroscopy (FTIR), N2sorptiometry, pho-toluminescence (PL) spectroscopy and transmission electron microscopy (TEM) attached with energydispersive X-ray spectroscopy (EDX). DRUV–vis analysis confirmed the enhancement in the absorptionof Pt/TNT following MWCNT incorporation. TEM images showed the coverage of MWCNTs by brookiteTNT that has been substantiated by EDX. The higher photo-activity of Pt/TNT-MWCNT (100% degra-dation in 140 min under visible irradiation) was attributable to the better contact between MWCNTand TNT; exhibited via formation of the Ti O C bond, which promoted the charge separation andelectron transportation. Reduced charge recombination was evidenced for Pt containing samples and afurther reduction was existed following MWCNTs incorporation; as investigated by PL measurements. Theadsorption of MB by MWCNTs played major role in the removal efficiency. On the other hand, Pt/graphenepresented appreciable activity, however, lower than Pt/TNT-MWCNT both in UV and vis light spectralregions due to decreasing the photocatalytic effect of the former than that of the latter. A mechanism forthe MB oxidation was proposed based on the obtained results.

Research paper thumbnail of Unprecedented high photocatalytic activity of nanocrystalline WO3/NiWO4 hetero-junction towards dye degradation: Effect of template and synthesis conditions

ABSTRACT Nanocrystalline NiWO4 wolframite structure has been prepared by a simple salt solution a... more ABSTRACT Nanocrystalline NiWO4 wolframite structure has been prepared by a simple salt solution addition (NiW1SS), co-precipitation (NiW4Cop) and sol–gel (NiW4SG) techniques via employing polymeric templates particularly polyethylene glycol (PEG) and triblock copolymer, respectively. The synthesis method as well as the metal molar ratio (W/Ni) influenced the phases, morphology, optical and surface properties of synthesized samples as configured by X-ray diffraction, transmission electron microscopy, UV–vis diffuse reflectance spectroscopy, infrared spectroscopy, X-ray photoelectron spectroscopy and N2 sorptiometry techniques. Accordingly, the NiW1SS material that exposed only NiWO4 of nano-plate shape at a molar ratio (W/Ni) 1 indicates higher surface texturing values (SBET = 52.6 m2/g, Vp = 0.2061 cm3/g and r = 15.7 nm) exceeding those of NiW4Cop (SBET = 15.07 m2/g, Vp = 0.0491 cm3/g and r = 13.0 nm) of anisotropic shapes (hexagonal and tetragonal); synthesized at a ratio of 4 and by the same template (PEG). The NiW1SS material indicated Eg value of 2.23 eV whereas that of NiW4Cop revealed a value of 2.92 eV. On the other hand, NiW4SG that exposed well crystallized WO3 beside NiWO4 of nano-flakes shape and an average diameter of 25 nm indicates Eg value of 2.56 eV and in addition evokes the formation of narrow pore size distribution in mesopores range (2–12 nm) as well as in macropores (60 nm) exploring the effect of template type on the pore texturing. Photodegradation of methylene blue (MB) dye was used to evaluate the photoactivity of NiWO4 catalysts under UV irradiations. The NiW4SG catalyst exhibited the best degradation performance (92.5% for MB after 5 h). The results showed that the feasibility of MB degradation was not only due to morphological properties but also to the NiWO4/WO3 heterojunction. Significantly, WO3 facilitates effective charge separation as traced by the photoluminescence emission spectra.

Research paper thumbnail of Adsorption of <I>n</I>-Alkyl Derivatives on Single Walled Carbon Nanotubes (Theoretical Approach)

Journal of Computational and Theoretical Nanoscience, 2014

ABSTRACT Effect of tubule diameter and tubule length on atomic and electronic charge distribution... more ABSTRACT Effect of tubule diameter and tubule length on atomic and electronic charge distribution on SWCNTs single walled carbon nanotubes SWCNTs zigzag (5, 0), (10, 0) and (15, 0) is investigated. Atomic and electronic structures of designed series are studied using AM1 semi-empirical method (Hyper Chem 8.04). Effect of different chain lengths on adsorption of n-alkyl derivatives such as n-alkane, alcohols, aldehydes, fatty acids, alkyl sulphonic acids and alkyl amine compounds on SWCNTs (5, 0) having 1.554 nm tubule length is studied. Adsorption of one molecule on SWCNT (5, 0) having tubule length 1.554 nm was performed using molecular mechanics MM+ and molecular dynamics. The obtained data reveals that the energy of adsorption increases as the length of alkyl chain increases. It is dependent on electronegativity of the terminal group.