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Adsorption and diffusion mechanism of cesium and chloride ions in channel of geopolymer with different Si/Al ratios: molecular dynamics simulation
Geopolymer is a kind of inorganic cementitious material, which is produced by geopolymerization of activator and aluminosilicate. It can be used for...
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Study of the Properties of Molecular Sieves Produced from Gels Containing Layered 2D Silicoaluminophosphates with Different SiO2/Al2O3 Ratios
AbstractCrystallization of molecular sieves SAPO-41 from gels containing layered 2D silicoaluminophosphates with various SiO 2 /Al 2 O 3 molar ratios...
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Crystallization of SAPO-11 Molecular Sieves from Silicoaluminophosphate Gels with Various SiO2/Al2O3 Ratios
AbstractSamples of SAPO-11 silicoaluminophosphate zeolites crystallized from silicoaluminophosphate gels with various SiO 2 /Al 2 O 3 ratios were studied...
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A molecular dynamics simulation of the effect of the toluene catalytic ratios and initial temperature on the catalytic combustion of air/methane inside a microchannel
MethodsThis research studied the effect of initial temperature (300-400K), and atomic percentage of toluene catalyst (1-10%) on the atomic and...
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Altitudinal Surface-Mounted Molecular Rotors
After a general description of some potential applications of artificial altitudinal surface-mounted molecular rotors, the synthesis, surface... -
Tuning the Assembly of Bispecific Antibodies by Playing on Differential Polypeptide Chain Molar Ratios
Bispecific antibodies (bsAb) represent the most promising class of therapeutics due to their multiple mode of action. Their development raised...
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Thermal cure kinetics of highly branched polyurea resins at different molar ratios
Highly branched polyurea (HBPU) resins have been developed as wood adhesives even though their cure kinetics was not well understood. Here, we report...
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Molecular dynamics study of the thermal behavior of ammonia refrigerant in the presence of copper nanoparticles at different volume ratios and initial temperatures
Generally, the addition of nanoparticles to a fluid significantly increases the thermal conductivity of structures. In the present study, the effect...
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Nanoscale molecular rectifiers
The use of molecules bridged between two electrodes as a stable rectifier is an important goal in molecular electronics. Until recently, however, and...
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Narrow bandgap molecular dyads Incorporating Y-series acceptor backbones for efficient single-molecular organic solar cells
The performance of organic solar cells (OSCs) is mainly related to the bulk heterojunction (BHJ) microstructure of specific active layer systems,...
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Direct production of molecular oxygen from carbon dioxide and helium ion collisions
The prebiotic mechanism to produce molecular oxygen (O 2 ) in carbon dioxide (CO 2 )-rich planetary atmospheres is of great importance in understanding...
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Molecular Imprinting: State of the Art and Perspectives
Molecular recognition is central to how biological systems work. The molecular imprinting technique is a valuable polymerisation method for preparing... -
Analogy between Surface and Molecular Organometallic Chemistry
Homogeneous and heterogeneous catalysis traditionally pertains to different communities, and it is thought that they are directed by different... -
Compatibilization of Carbon/Polymer Composites: Molecular Dynamics Simulation
The compatibilization of graphene/epoxy resin composites and carbon nanotube CNT/epoxy resin composite were studied based on the crystallized models... -
Molecular Motion, Correlation, and Relaxation Time
As we discussed before, the relaxation process is a key element of NMR and MRI techniques. For a two-level system, the spin transitions occur between... -
Enhancing combustion characteristics using JP-8 and JP-10 fuel mixture with different equivalence ratios: numerical and simulative study
JP-8 and JP-10 are important aviation fuels used by the US military in turbine-powered aircraft and diesel-powered ground vehicles, and gas turbine...
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Molecular Containers: Design Approaches and Applications
The design and synthesis of molecular containers is playing an increasing role in the selective removal and detection of species within solution. The... -
Molecular Basis for Thermostability
Thermophilic bacteria have always fascinated scientists because of their tolerance and ability to thrive at extreme temperatures where no other... -
Modification of Properties of Composites Based on Ultra-High Molecular Weight Polyethylene by Creating Two-Layer Coatings with Low Molecular Weight Polyethylene on Filler Particles: Synthesis, Properties, and Application in 3D Printing by Selective Laser Sintering
AbstractComposites with a two-layer coating consisting of ultra-high molecular weight polyethylene and a lower molecular weight high-density...
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Molecular dynamics simulation and performance analysis of polyimide/aramid blends
ContextPolyimide (PI) and aramid, as functional polymer materials, have significant application prospects in special fields such as fire prevention...