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  1. 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...

    Rui Wang, Jiayuan Ye, ... **aoying Peng in Journal of Radioanalytical and Nuclear Chemistry
    Article 27 July 2023
  2. Study of the Properties of Molecular Sieves Produced from Gels Containing Layered 2D Silicoaluminophosphates with Different SiO2/Al2O3 Ratios

    Abstract

    Crystallization of molecular sieves SAPO-41 from gels containing layered 2D silicoaluminophosphates with various SiO 2 /Al 2 O 3 molar ratios...

    M. R. Agliullin, D. V. Serebrennikov, ... B. I. Kutepov in Kinetics and Catalysis
    Article 23 June 2023
  3. Crystallization of SAPO-11 Molecular Sieves from Silicoaluminophosphate Gels with Various SiO2/Al2O3 Ratios

    Abstract

    Samples of SAPO-11 silicoaluminophosphate zeolites crystallized from silicoaluminophosphate gels with various SiO 2 /Al 2 O 3 ratios were studied...

    M. R. Agliullin, S. V. Bubennov, ... A. L. Maksimov in Russian Journal of Applied Chemistry
    Article 01 August 2022
  4. 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

    Methods

    This research studied the effect of initial temperature (300-400K), and atomic percentage of toluene catalyst (1-10%) on the atomic and...

    Seyed Masoud Badakhshian, Babak Mehmandoust, ... Mohammad Hashemian in Journal of Molecular Modeling
    Article 29 February 2024
  5. Altitudinal Surface-Mounted Molecular Rotors

    After a general description of some potential applications of artificial altitudinal surface-mounted molecular rotors, the synthesis, surface...
    Thomas F. Magnera, Josef Michl in Molecular Machines
    Chapter
  6. 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...

    Célia De Temmerman, Pauline Bernard, ... Séverine Fagète in Biotechnology and Bioprocess Engineering
    Article 24 August 2023
  7. 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...

    Seongsu Park, Long Yang, ... Guanben Du in Journal of Thermal Analysis and Calorimetry
    Article 19 April 2023
  8. 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...

    Hossein Abed, Mohammad Ali Fazilati, ... Babak Mehmandoust in Journal of Molecular Modeling
    Article 19 May 2022
  9. 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...

    Ritu Gupta, Jerry A. Fereiro, ... Prakash Chandra Mondal in Nature Reviews Chemistry
    Article 13 January 2023
  10. 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,...

    Yuan Gao, Bo **ao, ... Jie Min in Science China Chemistry
    Article 24 August 2023
  11. 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...

    Yaya Zhi, Qiang Guo, ... Shan ** Tian in Communications Chemistry
    Article Open access 06 December 2023
  12. 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...
    Jean Daniel Marty, Monique Mauzac in Microlithography · Molecular Imprinting
    Chapter
  13. 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...
    Jean-Pierre Candy, Christophe Copéret, Jean-Marie Basset in Surface and Interfacial Organometallic Chemistry and Catalysis
    Chapter
  14. 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...
    Dongmei Yao, Cong Feng, ... **wen Ming in Proceedings of the 10th Hydrogen Technology Convention, Volume 1
    Conference paper Open access 2024
  15. 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...
    Fatemeh Khashami in Fundamentals of NMR and MRI
    Chapter 2024
  16. 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...

    Muhammad Naeem Akhtar, Faheem Akhter, ... Munawar Ali Pinjaro in Chemical Papers
    Article 02 June 2023
  17. 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...
    David R. Turner, Aurelia Pastor, ... Jonathan W. Steed in Supramolecular Assembly via Hydrogen Bonds I
    Chapter
  18. Molecular Basis for Thermostability

    Thermophilic bacteria have always fascinated scientists because of their tolerance and ability to thrive at extreme temperatures where no other...
    Sean Michael Scully in Thermophilic Anaerobes
    Chapter 2023
  19. 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

    Abstract

    Composites with a two-layer coating consisting of ultra-high molecular weight polyethylene and a lower molecular weight high-density...

    S. S. Gusarov, O. I. Kudinova, ... L. A. Novokshonova in Polymer Science, Series B
    Article 01 December 2023
  20. Molecular dynamics simulation and performance analysis of polyimide/aramid blends

    Context

    Polyimide (PI) and aramid, as functional polymer materials, have significant application prospects in special fields such as fire prevention...

    Chang Ma, Zhongyu Li, ... Minfu Liao in Journal of Molecular Modeling
    Article 02 January 2024
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