Friction factor calculation in nanochannels comprising different wall hydrophobicities and superhydrophobic structures: Molecular dynamic simulations
A non-equilibrium molecular dynamics simulation was employed to evaluate the friction factor of water molecules confined in nanochannels composed of silicon surfaces. The investigation of water flow behavior was focused on two sets of cases. At first, two smooth silicon surfaces were used to create...
Ausführliche Beschreibung
Autor*in: |
Shadloo-Jahromi, Alireza [verfasserIn] Kharati-Koopaee, Masoud [verfasserIn] Bavi, Omid [verfasserIn] |
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Format: |
E-Artikel |
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Sprache: |
Englisch |
Erschienen: |
2020 |
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Schlagwörter: |
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Übergeordnetes Werk: |
Enthalten in: International communications in heat and mass transfer - Amsterdam [u.a.] : Elsevier Science, 1983, 117 |
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Übergeordnetes Werk: |
volume:117 |
DOI / URN: |
10.1016/j.icheatmasstransfer.2020.104763 |
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Katalog-ID: |
ELV004747682 |
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520 | |a A non-equilibrium molecular dynamics simulation was employed to evaluate the friction factor of water molecules confined in nanochannels composed of silicon surfaces. The investigation of water flow behavior was focused on two sets of cases. At first, two smooth silicon surfaces were used to create the wall of nanochannels. Simulation results indicated that for the studied cases, more hydrophilic walls led to higher Darcy-Weisbach friction factor of the confined water. In the second case, Nanometer-sized protrusions with the aligned and staggered nanopost arrangements were used to decorate the silicon surface to produce possibly superhydrophobic surfaces. Our results indicated that the friction factor in staggered nanopost arrangement was significantly larger than that of the aligned one. We found that for both nonopost arrangements, by increasing the Reynolds number and decreasing the percentage of pillar surface fraction, the friction factor decreased and the slip length increased. We found that employing a superhydrophobic surface in nanopost configuration, depending on pillar surface fraction, could lead to a lower friction factor than a hydrophobic surface obtained by a decrease in the wall hydrophilicity. We believe that our computational findings could shed light on the efficiency, economy improvement, and miniaturization of the nanofluidic devices. | ||
650 | 4 | |a Superhydrophobic surface | |
650 | 4 | |a Friction factor | |
650 | 4 | |a Hydrophilic surface | |
650 | 4 | |a Aligned pattern | |
650 | 4 | |a Staggered pattern | |
650 | 4 | |a Nanochannel | |
700 | 1 | |a Kharati-Koopaee, Masoud |e verfasserin |4 aut | |
700 | 1 | |a Bavi, Omid |e verfasserin |4 aut | |
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allfields |
10.1016/j.icheatmasstransfer.2020.104763 doi (DE-627)ELV004747682 (ELSEVIER)S0735-1933(20)30291-8 DE-627 ger DE-627 rda eng 620 DE-600 50.38 bkl Shadloo-Jahromi, Alireza verfasserin aut Friction factor calculation in nanochannels comprising different wall hydrophobicities and superhydrophobic structures: Molecular dynamic simulations 2020 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier A non-equilibrium molecular dynamics simulation was employed to evaluate the friction factor of water molecules confined in nanochannels composed of silicon surfaces. The investigation of water flow behavior was focused on two sets of cases. At first, two smooth silicon surfaces were used to create the wall of nanochannels. Simulation results indicated that for the studied cases, more hydrophilic walls led to higher Darcy-Weisbach friction factor of the confined water. In the second case, Nanometer-sized protrusions with the aligned and staggered nanopost arrangements were used to decorate the silicon surface to produce possibly superhydrophobic surfaces. Our results indicated that the friction factor in staggered nanopost arrangement was significantly larger than that of the aligned one. We found that for both nonopost arrangements, by increasing the Reynolds number and decreasing the percentage of pillar surface fraction, the friction factor decreased and the slip length increased. We found that employing a superhydrophobic surface in nanopost configuration, depending on pillar surface fraction, could lead to a lower friction factor than a hydrophobic surface obtained by a decrease in the wall hydrophilicity. We believe that our computational findings could shed light on the efficiency, economy improvement, and miniaturization of the nanofluidic devices. Superhydrophobic surface Friction factor Hydrophilic surface Aligned pattern Staggered pattern Nanochannel Kharati-Koopaee, Masoud verfasserin aut Bavi, Omid verfasserin aut Enthalten in International communications in heat and mass transfer Amsterdam [u.a.] : Elsevier Science, 1983 117 Online-Ressource (DE-627)320604373 (DE-600)2020560-0 (DE-576)096806710 nnns volume:117 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 50.38 Technische Thermodynamik AR 117 |
spelling |
10.1016/j.icheatmasstransfer.2020.104763 doi (DE-627)ELV004747682 (ELSEVIER)S0735-1933(20)30291-8 DE-627 ger DE-627 rda eng 620 DE-600 50.38 bkl Shadloo-Jahromi, Alireza verfasserin aut Friction factor calculation in nanochannels comprising different wall hydrophobicities and superhydrophobic structures: Molecular dynamic simulations 2020 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier A non-equilibrium molecular dynamics simulation was employed to evaluate the friction factor of water molecules confined in nanochannels composed of silicon surfaces. The investigation of water flow behavior was focused on two sets of cases. At first, two smooth silicon surfaces were used to create the wall of nanochannels. Simulation results indicated that for the studied cases, more hydrophilic walls led to higher Darcy-Weisbach friction factor of the confined water. In the second case, Nanometer-sized protrusions with the aligned and staggered nanopost arrangements were used to decorate the silicon surface to produce possibly superhydrophobic surfaces. Our results indicated that the friction factor in staggered nanopost arrangement was significantly larger than that of the aligned one. We found that for both nonopost arrangements, by increasing the Reynolds number and decreasing the percentage of pillar surface fraction, the friction factor decreased and the slip length increased. We found that employing a superhydrophobic surface in nanopost configuration, depending on pillar surface fraction, could lead to a lower friction factor than a hydrophobic surface obtained by a decrease in the wall hydrophilicity. We believe that our computational findings could shed light on the efficiency, economy improvement, and miniaturization of the nanofluidic devices. Superhydrophobic surface Friction factor Hydrophilic surface Aligned pattern Staggered pattern Nanochannel Kharati-Koopaee, Masoud verfasserin aut Bavi, Omid verfasserin aut Enthalten in International communications in heat and mass transfer Amsterdam [u.a.] : Elsevier Science, 1983 117 Online-Ressource (DE-627)320604373 (DE-600)2020560-0 (DE-576)096806710 nnns volume:117 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 50.38 Technische Thermodynamik AR 117 |
allfields_unstemmed |
10.1016/j.icheatmasstransfer.2020.104763 doi (DE-627)ELV004747682 (ELSEVIER)S0735-1933(20)30291-8 DE-627 ger DE-627 rda eng 620 DE-600 50.38 bkl Shadloo-Jahromi, Alireza verfasserin aut Friction factor calculation in nanochannels comprising different wall hydrophobicities and superhydrophobic structures: Molecular dynamic simulations 2020 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier A non-equilibrium molecular dynamics simulation was employed to evaluate the friction factor of water molecules confined in nanochannels composed of silicon surfaces. The investigation of water flow behavior was focused on two sets of cases. At first, two smooth silicon surfaces were used to create the wall of nanochannels. Simulation results indicated that for the studied cases, more hydrophilic walls led to higher Darcy-Weisbach friction factor of the confined water. In the second case, Nanometer-sized protrusions with the aligned and staggered nanopost arrangements were used to decorate the silicon surface to produce possibly superhydrophobic surfaces. Our results indicated that the friction factor in staggered nanopost arrangement was significantly larger than that of the aligned one. We found that for both nonopost arrangements, by increasing the Reynolds number and decreasing the percentage of pillar surface fraction, the friction factor decreased and the slip length increased. We found that employing a superhydrophobic surface in nanopost configuration, depending on pillar surface fraction, could lead to a lower friction factor than a hydrophobic surface obtained by a decrease in the wall hydrophilicity. We believe that our computational findings could shed light on the efficiency, economy improvement, and miniaturization of the nanofluidic devices. Superhydrophobic surface Friction factor Hydrophilic surface Aligned pattern Staggered pattern Nanochannel Kharati-Koopaee, Masoud verfasserin aut Bavi, Omid verfasserin aut Enthalten in International communications in heat and mass transfer Amsterdam [u.a.] : Elsevier Science, 1983 117 Online-Ressource (DE-627)320604373 (DE-600)2020560-0 (DE-576)096806710 nnns volume:117 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 50.38 Technische Thermodynamik AR 117 |
allfieldsGer |
10.1016/j.icheatmasstransfer.2020.104763 doi (DE-627)ELV004747682 (ELSEVIER)S0735-1933(20)30291-8 DE-627 ger DE-627 rda eng 620 DE-600 50.38 bkl Shadloo-Jahromi, Alireza verfasserin aut Friction factor calculation in nanochannels comprising different wall hydrophobicities and superhydrophobic structures: Molecular dynamic simulations 2020 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier A non-equilibrium molecular dynamics simulation was employed to evaluate the friction factor of water molecules confined in nanochannels composed of silicon surfaces. The investigation of water flow behavior was focused on two sets of cases. At first, two smooth silicon surfaces were used to create the wall of nanochannels. Simulation results indicated that for the studied cases, more hydrophilic walls led to higher Darcy-Weisbach friction factor of the confined water. In the second case, Nanometer-sized protrusions with the aligned and staggered nanopost arrangements were used to decorate the silicon surface to produce possibly superhydrophobic surfaces. Our results indicated that the friction factor in staggered nanopost arrangement was significantly larger than that of the aligned one. We found that for both nonopost arrangements, by increasing the Reynolds number and decreasing the percentage of pillar surface fraction, the friction factor decreased and the slip length increased. We found that employing a superhydrophobic surface in nanopost configuration, depending on pillar surface fraction, could lead to a lower friction factor than a hydrophobic surface obtained by a decrease in the wall hydrophilicity. We believe that our computational findings could shed light on the efficiency, economy improvement, and miniaturization of the nanofluidic devices. Superhydrophobic surface Friction factor Hydrophilic surface Aligned pattern Staggered pattern Nanochannel Kharati-Koopaee, Masoud verfasserin aut Bavi, Omid verfasserin aut Enthalten in International communications in heat and mass transfer Amsterdam [u.a.] : Elsevier Science, 1983 117 Online-Ressource (DE-627)320604373 (DE-600)2020560-0 (DE-576)096806710 nnns volume:117 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 50.38 Technische Thermodynamik AR 117 |
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10.1016/j.icheatmasstransfer.2020.104763 doi (DE-627)ELV004747682 (ELSEVIER)S0735-1933(20)30291-8 DE-627 ger DE-627 rda eng 620 DE-600 50.38 bkl Shadloo-Jahromi, Alireza verfasserin aut Friction factor calculation in nanochannels comprising different wall hydrophobicities and superhydrophobic structures: Molecular dynamic simulations 2020 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier A non-equilibrium molecular dynamics simulation was employed to evaluate the friction factor of water molecules confined in nanochannels composed of silicon surfaces. The investigation of water flow behavior was focused on two sets of cases. At first, two smooth silicon surfaces were used to create the wall of nanochannels. Simulation results indicated that for the studied cases, more hydrophilic walls led to higher Darcy-Weisbach friction factor of the confined water. In the second case, Nanometer-sized protrusions with the aligned and staggered nanopost arrangements were used to decorate the silicon surface to produce possibly superhydrophobic surfaces. Our results indicated that the friction factor in staggered nanopost arrangement was significantly larger than that of the aligned one. We found that for both nonopost arrangements, by increasing the Reynolds number and decreasing the percentage of pillar surface fraction, the friction factor decreased and the slip length increased. We found that employing a superhydrophobic surface in nanopost configuration, depending on pillar surface fraction, could lead to a lower friction factor than a hydrophobic surface obtained by a decrease in the wall hydrophilicity. We believe that our computational findings could shed light on the efficiency, economy improvement, and miniaturization of the nanofluidic devices. Superhydrophobic surface Friction factor Hydrophilic surface Aligned pattern Staggered pattern Nanochannel Kharati-Koopaee, Masoud verfasserin aut Bavi, Omid verfasserin aut Enthalten in International communications in heat and mass transfer Amsterdam [u.a.] : Elsevier Science, 1983 117 Online-Ressource (DE-627)320604373 (DE-600)2020560-0 (DE-576)096806710 nnns volume:117 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2008 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2470 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 50.38 Technische Thermodynamik AR 117 |
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Friction factor calculation in nanochannels comprising different wall hydrophobicities and superhydrophobic structures: Molecular dynamic simulations |
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Friction factor calculation in nanochannels comprising different wall hydrophobicities and superhydrophobic structures: Molecular dynamic simulations |
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Shadloo-Jahromi, Alireza |
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International communications in heat and mass transfer |
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Shadloo-Jahromi, Alireza Kharati-Koopaee, Masoud Bavi, Omid |
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10.1016/j.icheatmasstransfer.2020.104763 |
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friction factor calculation in nanochannels comprising different wall hydrophobicities and superhydrophobic structures: molecular dynamic simulations |
title_auth |
Friction factor calculation in nanochannels comprising different wall hydrophobicities and superhydrophobic structures: Molecular dynamic simulations |
abstract |
A non-equilibrium molecular dynamics simulation was employed to evaluate the friction factor of water molecules confined in nanochannels composed of silicon surfaces. The investigation of water flow behavior was focused on two sets of cases. At first, two smooth silicon surfaces were used to create the wall of nanochannels. Simulation results indicated that for the studied cases, more hydrophilic walls led to higher Darcy-Weisbach friction factor of the confined water. In the second case, Nanometer-sized protrusions with the aligned and staggered nanopost arrangements were used to decorate the silicon surface to produce possibly superhydrophobic surfaces. Our results indicated that the friction factor in staggered nanopost arrangement was significantly larger than that of the aligned one. We found that for both nonopost arrangements, by increasing the Reynolds number and decreasing the percentage of pillar surface fraction, the friction factor decreased and the slip length increased. We found that employing a superhydrophobic surface in nanopost configuration, depending on pillar surface fraction, could lead to a lower friction factor than a hydrophobic surface obtained by a decrease in the wall hydrophilicity. We believe that our computational findings could shed light on the efficiency, economy improvement, and miniaturization of the nanofluidic devices. |
abstractGer |
A non-equilibrium molecular dynamics simulation was employed to evaluate the friction factor of water molecules confined in nanochannels composed of silicon surfaces. The investigation of water flow behavior was focused on two sets of cases. At first, two smooth silicon surfaces were used to create the wall of nanochannels. Simulation results indicated that for the studied cases, more hydrophilic walls led to higher Darcy-Weisbach friction factor of the confined water. In the second case, Nanometer-sized protrusions with the aligned and staggered nanopost arrangements were used to decorate the silicon surface to produce possibly superhydrophobic surfaces. Our results indicated that the friction factor in staggered nanopost arrangement was significantly larger than that of the aligned one. We found that for both nonopost arrangements, by increasing the Reynolds number and decreasing the percentage of pillar surface fraction, the friction factor decreased and the slip length increased. We found that employing a superhydrophobic surface in nanopost configuration, depending on pillar surface fraction, could lead to a lower friction factor than a hydrophobic surface obtained by a decrease in the wall hydrophilicity. We believe that our computational findings could shed light on the efficiency, economy improvement, and miniaturization of the nanofluidic devices. |
abstract_unstemmed |
A non-equilibrium molecular dynamics simulation was employed to evaluate the friction factor of water molecules confined in nanochannels composed of silicon surfaces. The investigation of water flow behavior was focused on two sets of cases. At first, two smooth silicon surfaces were used to create the wall of nanochannels. Simulation results indicated that for the studied cases, more hydrophilic walls led to higher Darcy-Weisbach friction factor of the confined water. In the second case, Nanometer-sized protrusions with the aligned and staggered nanopost arrangements were used to decorate the silicon surface to produce possibly superhydrophobic surfaces. Our results indicated that the friction factor in staggered nanopost arrangement was significantly larger than that of the aligned one. We found that for both nonopost arrangements, by increasing the Reynolds number and decreasing the percentage of pillar surface fraction, the friction factor decreased and the slip length increased. We found that employing a superhydrophobic surface in nanopost configuration, depending on pillar surface fraction, could lead to a lower friction factor than a hydrophobic surface obtained by a decrease in the wall hydrophilicity. We believe that our computational findings could shed light on the efficiency, economy improvement, and miniaturization of the nanofluidic devices. |
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title_short |
Friction factor calculation in nanochannels comprising different wall hydrophobicities and superhydrophobic structures: Molecular dynamic simulations |
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Kharati-Koopaee, Masoud Bavi, Omid |
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