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(PDF) A Molecular to Macro-scale Assessment of Direct Contact Membrane ...

(PDF) A Molecular to Macro-scale Assessment of Direct Contact Membrane ...

Apr 01, 2020 Membrane distillation: membranes and static experimental set up Commercial polycarbonate membranes (Whatman 111116 Nucle- pore: the membrane diameter was 47 mm and the pore diameter was 12

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Molecular Dynamics in Membranes - SpringerLink

Molecular Dynamics in Membranes - SpringerLink

Aug 31, 2016 Over the last 30 years, detailed atomistic molecular modeling techniques, namely, the molecular dynamics (MD) and the Monte Carlo (MC), have become a widely used method for the investigation of the molecular structure of membrane materials and transport properties in various membrane operations (Binder 1995; Gubbins and Moore 2010; Hofmann …

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(PDF) Molecular Dynamics of the Kcs A K+ Channel in a Bilayer Membrane ...

(PDF) Molecular Dynamics of the Kcs A K+ Channel in a Bilayer Membrane ...

Biophysical Journal 78 (6) 2900 –2917 fMolecular Dynamics of the KcsA K⫹ Channel in a Bilayer Membrane 2903 (from one to three) were included in the selectivity filter atoms through systematic rigid-body rotations (around the between the ions in the outer and inner sites. A total of four Z-axis) and translations (in the XY plane).

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Tailoring the molecular structure of crosslinked polymers for ...

Tailoring the molecular structure of crosslinked polymers for ...

Mar 19, 2020 a Comparison of the water fluxes of PVA/PAN nanofiber composite membranes (in this study) to the reported membrane distillation (MD) data (Supplementary Fig. 42b). b The desalination properties of ...

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Molecular dynamics simulation of membrane proteins

Molecular dynamics simulation of membrane proteins

Molecular dynamics simulation of membrane proteins Adv Exp Med Biol. 2014;805:305-29. doi: 10.1007/978-3-319-02970-2_13. ... molecular dynamics simulations is a powerful tool in providing more complete description of the dynamics and energetics of membrane proteins with high spatial-temporal resolution. In this chapter, we provide a survey of ...

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Molecular dynamics simulation of melittin in a ...

Molecular dynamics simulation of melittin in a ...

Molecular dynamics trajectories of melittin in an explicit dimyristoyl phosphatidylcholine (DMPC) bilayer are generated to study the details of lipid-protein interactions at the microscopic level. Melittin, a small amphipathic peptide found in bee venom, is known to have a pronounced effect on the lysis of membranes.

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Molecular dynamics simulation - Stanford University

Molecular dynamics simulation - Stanford University

sodium, chloride), lipids of the cell membrane • Two options for taking solvent into account – Explicitly represent solvent molecules • High computational expense but more accurate ... simulations: VMD (“Visual Molecular Dynamics”) 29. Force fields for molecular dynamics • Most MD simulations today use force fields from one of three ...

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Membranes Free Full-Text Membrane Distillation Hybrid ...

Membranes Free Full-Text Membrane Distillation Hybrid ...

The fouling/wetting of hydrophobic membrane caused by organic substances with low-surface energy substantially limits the development of the membrane distillation (MD) process. The sulfate radical (SO4 −)-based advanced oxidation process (AOP) has been a promising technology to degrade organics in wastewater treatment, and peroxydisulfate (PDS) could be …

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