Songqing Hu
China University of Petroleum
MicelleAdsorptionDensity functional theoryCopolymerChemical physicsComposite materialEpoxyNanotechnologyChemistryMaterials scienceCorrosionCorrosion inhibitorGrapheneMoleculeMembraneChemical engineeringDissipative particle dynamicsPolymerPulmonary surfactantMolecular dynamics
59Publications
15H-index
636Citations
Publications 73
Newest
#1Chunling Li (China University of Petroleum)H-Index: 9
#2Yangchao Sun (China University of Petroleum)H-Index: 1
Last. Songqing Hu (China University of Petroleum)H-Index: 15
view all 5 authors...
Abstract We present a simple approach for the fabrication of a full-thickness super-hydrophobic composite coating consisted of modified TiO 2 nanoparticles and polysiloxane resin. Scanning electron microscope (SEM), fourier transform infrared spectrometer (FTIR), contact angle meter and a simple self-made device were employed to characterize the surface morphologies, chemical compositions, contact angle and sliding angle of the modified TiO 2 nanoparticles and composite coating, respectively. Re...
49 CitationsSource
Abstract Dissipative particle dynamics (DPD) simulation has been used to study the effect of pH on the morphology transition of micelles assembled by monorhamnolipids (monoRLs). Results show that micellar structures and transition modes with increasing mass concentrations are multiform due to the changeable hydrophilicity of pH-responsive beads at different pH levels. Various chaotic multilayer aggregations of monoRLs are observed at low pH (pH 7.4). At medium pH region (4.0
7 CitationsSource
#1Qiang Lv (China University of Petroleum)H-Index: 5
#2Zhikun Wang (China University of Petroleum)H-Index: 8
Last. Songqing Hu (China University of Petroleum)H-Index: 15
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Abstract Molecular dynamics (MD) simulations were implemented to investigate the effect of single adatom (SA) and Stone-Wales (SW) defects on the longitudinal elastic properties of unidirectional carbon nanotube (CNT)/polypropylene (PP) composites. The longitudinal Young's moduli of individual CNTs and CNT/PP composites were calculated from uniaxial tension simulations, and the interfacial shear strengths (IFSSs) between CNTs and PP matrix were also extracted. The moduli of SA and SW defected CN...
24 CitationsSource
#4Jianchang Xu (China University of Petroleum)H-Index: 2
Abstract Dissipative particle dynamics (DPD) simulations were applied to investigate the coating repair agent dicyclopentadience (DCPD) in pH-sensitive micelles. The results show micelles self-assembled from triblock copolymers with strong hydrophobic interaction are not conducive to loading DCPD, and only micelles with weak interaction parameter can encapsulate DCPD well. After protonation, the structure of micelle was disassembled and DCPD beads have a stronger ability to shrink polymer chains...
5 CitationsSource
#1Zhikun Wang (UC Davis: University of California, Davis)H-Index: 8
#2Shuangqing Sun (China University of Petroleum)H-Index: 12
Last. Roland Faller (UC Davis: University of California, Davis)H-Index: 41
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Multicompartment nanostructures, such as microcapsules with clearly separated shell and core, are not easily accessible by conventional block copolymer self-assembly. We assess a versatile computational strategy through cooperative assembly of diblock copolymer blends to generate spherical and cylindrical compartmentalized micelles with intricate structures and morphologies. The co-assembly strategy combines the advantages of polymer blending and incompatibility-induced phase separation. Followi...
10 CitationsSource
#1Gang Wu (China University of Petroleum)H-Index: 2
#2Congtai Yuan (China University of Petroleum)H-Index: 3
Last. Songqing Hu (China University of Petroleum)H-Index: 15
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Abstract Molecular dynamics simulations have been carried out to study the stability of gemini surfactant foam with different head groups. The results showed that the interaction strength between the polar head groups of the surfactants and water molecules increased from 12-3S-12 (sulfate) system, 12-3Sn-12 (sulfonate) system to 12-3L-12 (carboxylate) system, and the coordination number of water molecules around head increased. From the perspective of energy, the interface formation energy of 12...
6 CitationsSource
#1Gang Wu (China University of Petroleum)H-Index: 2
#2Qianqian Zhu (China University of Petroleum)H-Index: 2
Last. Songqing Hu (China University of Petroleum)H-Index: 15
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Abstract Molecular dynamics simulations were performed to investigate the effect of the concentration of polyacrylamide (PAM) and the hydrolysis degree of partially hydrolyzed polyacrylamide (HPAM) on the stability of sodium dodecyl sulfate (SDS) foams. The effect of polymer on the complex systems (PAM-SDS and HPAM-SDS) was investigated by analyzing the density distribution of SDS headgroups, the radial distribution function (RDF) of hydration of SDS headgroups, the mean square displacement (MSD...
16 CitationsSource
#1Zhikun Wang (UC Davis: University of California, Davis)H-Index: 8
#2Jianbang GaoH-Index: 3
Last. Roland Faller (UC Davis: University of California, Davis)H-Index: 41
view all 7 authors...
Using dissipative particle dynamics simulation, we probe the tunable permeability of cross-linked microcapsules made from pH-sensitive diblock copolymers poly(ethylene oxide)-b-poly(N,N-diethylamino-2-ethyl methacrylate) (PEO-b-PDEAEMA). We first examine the self-assembly of non-cross-linked microcapsules and their pH-responsive collapse and then explore the effects of cross-linking and block interaction on the swelling or deswelling of cross-linked microcapsules. Our results reveal a preferenti...
24 CitationsSource
#1Shenghui Chen (China University of Petroleum)H-Index: 7
#2Shuangqing Sun (China University of Petroleum)H-Index: 12
Last. Steven R. Gwaltney (MSU: Mississippi State University)H-Index: 25
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Molecular dynamics simulations are used to investigate the aggregation and behavior of two parallel graphene sheets (22.0–64.0 A in length) in dodecane. The dodecane layer formed on the graphene surface leads to an energy barrier which slows the rate of the graphene aggregation process when the two sheets are totally separated by dodecane molecules. The graphene sheets aggregate in dodecane only when portions of one graphene sheet are in contact with another sheet. The aggregation rate depends o...
3 CitationsSource
#1Shenghui Chen (China University of Petroleum)H-Index: 7
#2Qiang Lv (China University of Petroleum)H-Index: 5
Last. Songqing Hu (China University of Petroleum)H-Index: 15
view all 8 authors...
Molecular dynamics simulations are used to investigate the effect of graphene dispersion on the equilibrium structure and deformation of graphene/eicosane composites. Two graphene sheets with four different interlayer distances are incorporated, respectively, into a eicosane matrix to form graphene/eicosane composites representing different graphene dispersions. With greater graphene dispersion, the “adsorption solidification” of the eicosane increases, where eicosane molecular lamination, orien...
8 CitationsSource