Understanding the hydrate adhesion is important to tackling hydrate accretion in petro-pipelines.Herein,the relationship between the Tetrahydrofuran(THF)hydrate adhesion strength(AS)and surface stiffness on elastic co...Understanding the hydrate adhesion is important to tackling hydrate accretion in petro-pipelines.Herein,the relationship between the Tetrahydrofuran(THF)hydrate adhesion strength(AS)and surface stiffness on elastic coatings is systemically examined by experimental shear force measurements and theoretical methods.The mechanical factor-elastic modulus of the coatings greatly dictates the hydrate AS,which is explained by the adhesion mechanics theory,beyond the usual factors such as wettability and structural roughness.Moreover,the hydrate AS increases with reducing the thickness of the elastic coatings,resulted from the decrease of the apparent surface elastic modulus.The effect of critical thickness for the elastic materials with variable elastic modulus on the hydrate AS is also revealed.This study provides deep perspectives on the regulation of the hydrate AS by the elastic modulus of elastic materials,which is of significance to design anti-hydrate surfaces for mitigation of hydrate accretion in petro-pipelines.展开更多
Clathrate hydrates(CHs)are one of the most promising molecular structures in applications of gas capture and storage,and gas separations.Fundamental knowledge of mechanical characteristics of CHs is of crucial importa...Clathrate hydrates(CHs)are one of the most promising molecular structures in applications of gas capture and storage,and gas separations.Fundamental knowledge of mechanical characteristics of CHs is of crucial importance for assessing gas storage and separations at cold conditions,as well as understanding their stability and formation mechanisms.Here,the tensile mechanical properties of structural I CHs encapsulating a variety of guest species(CH_(4),NH_(3),H_(2)S,CH_(2)O,CH_(3)OH,and CH_(3)SH)that have different abilities to form hydrogen(H-)bonds with water molecule are explored by classical molecular dynamics(MD)simulations.All investigated CHs are structurally stable clathrate structures.Basic mechanical properties of CHs including tensile limit and Young’s modulus are dominated by the H-bonding ability of host-guest molecules and the guest molecular polarity.CHs containing small CH_(4),CH_(2)O and H_(2)S guest molecules that possess weak H-bonding ability are mechanically robust clathrate structures and mechanically destabilized via brittle failure on the(101)plane.However,those entrapping CH3SH,CH3OH,and NH3 that have strong H-bonding ability are mechanically weak molecular structures and mechanically destabilized through ductile failure as a result of gradual global dissociation of clathrate cages.展开更多
基金This work is financially supported by the Key Laboratory of Icing and Anti/De-icing of CARDC(Grant No.IADL20210402)the National Natural Science Foundation of China(Grant Nos.12002350,12172314,11772278 and 11904300)+1 种基金the Jiangxi Provincial Outstanding Young Talents Program(Grant No.20192BCBL23029)the Fundamental Research Funds for the Central Universities(Xiamen University:Grant No.20720210025).
文摘Understanding the hydrate adhesion is important to tackling hydrate accretion in petro-pipelines.Herein,the relationship between the Tetrahydrofuran(THF)hydrate adhesion strength(AS)and surface stiffness on elastic coatings is systemically examined by experimental shear force measurements and theoretical methods.The mechanical factor-elastic modulus of the coatings greatly dictates the hydrate AS,which is explained by the adhesion mechanics theory,beyond the usual factors such as wettability and structural roughness.Moreover,the hydrate AS increases with reducing the thickness of the elastic coatings,resulted from the decrease of the apparent surface elastic modulus.The effect of critical thickness for the elastic materials with variable elastic modulus on the hydrate AS is also revealed.This study provides deep perspectives on the regulation of the hydrate AS by the elastic modulus of elastic materials,which is of significance to design anti-hydrate surfaces for mitigation of hydrate accretion in petro-pipelines.
基金the National Natural Science Foundation of China(Grant Nos.11772278,11904300,and 11502221)the Jiangxi Provincial Outstanding Young Talents Program(Grant No.20192BCBL23029)the Fundamental Research Funds for the Central Universities(Xiamen University:Grant Nos.20720180014,20720180018,and 20720180066)。
文摘Clathrate hydrates(CHs)are one of the most promising molecular structures in applications of gas capture and storage,and gas separations.Fundamental knowledge of mechanical characteristics of CHs is of crucial importance for assessing gas storage and separations at cold conditions,as well as understanding their stability and formation mechanisms.Here,the tensile mechanical properties of structural I CHs encapsulating a variety of guest species(CH_(4),NH_(3),H_(2)S,CH_(2)O,CH_(3)OH,and CH_(3)SH)that have different abilities to form hydrogen(H-)bonds with water molecule are explored by classical molecular dynamics(MD)simulations.All investigated CHs are structurally stable clathrate structures.Basic mechanical properties of CHs including tensile limit and Young’s modulus are dominated by the H-bonding ability of host-guest molecules and the guest molecular polarity.CHs containing small CH_(4),CH_(2)O and H_(2)S guest molecules that possess weak H-bonding ability are mechanically robust clathrate structures and mechanically destabilized via brittle failure on the(101)plane.However,those entrapping CH3SH,CH3OH,and NH3 that have strong H-bonding ability are mechanically weak molecular structures and mechanically destabilized through ductile failure as a result of gradual global dissociation of clathrate cages.