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Bonding in Metals02:32

Bonding in Metals

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Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”. 
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Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
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Group 1 elements are soft and shiny metallic solids. They are malleable, ductile, and good conductors of heat and electricity. The melting points of the alkali metals are unusually low for metals and decrease going down the group, while the density increases going down the group with the exception of potassium (Table 1).
Table 1: Properties of the alkali metals
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The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
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Transition metals are defined as those elements that have partially filled d orbitals. As shown in Figure 1, the d-block elements in groups 3–12 are transition elements. The f-block elements, also called inner transition metals (the lanthanides and actinides), also meet this criterion because the d orbital is partially occupied before the f orbitals.
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The contact of metal and semiconductor can lead to the formation of a junction with either Schottky or Ohmic behavior.
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Synthesis and Characterization of Functionalized Metal-organic Frameworks
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Acetylene Storage and Separation Using Metal-Organic Frameworks with Open Metal Sites.

A Luna-Triguero1, J M Vicent-Luna1, R M Madero-Castro1

  • 1Department of Physical, Chemical and Natural Systems , Universidad Pablo de Olavide , Ctra. Utrera Km. 1 , ES-41013 Seville , Spain.

ACS Applied Materials & Interfaces
|August 2, 2019
PubMed
Summary
This summary is machine-generated.

Computational study using metal-organic frameworks (MOFs) shows promise for separating acetylene from methane and carbon dioxide. Fe-MOF-74 demonstrates effective separation, aiding future material design for hydrocarbon processing.

Keywords:
Fe-MOF-74acetylene purificationcarbon dioxidegas adsorptiongrand canonical Monte Carlo

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Area of Science:

  • Materials Science
  • Chemical Engineering
  • Computational Chemistry

Background:

  • Efficient separation of light hydrocarbons like acetylene is crucial for industrial applications, serving as energy resources and chemical feedstocks.
  • Separating acetylene from methane and carbon dioxide is particularly challenging due to similar molecular properties.
  • Adsorption-based separations using porous metal-organic frameworks (MOFs) have emerged as a promising technique.

Purpose of the Study:

  • To computationally investigate the separation of acetylene from methane and carbon dioxide using various MOFs.
  • To understand competitive gas adsorption and molecular-level adsorption mechanisms.
  • To guide the experimental design of MOFs for improved hydrocarbon separations.

Main Methods:

  • Utilized computational methods to study gas separations across a range of MOFs.
  • Developed and validated a specific parameterization for olefin interactions with open metal sites based on experimental adsorption isotherms.
  • Investigated adsorption characteristics, including binding sites and density profiles, using volumetric and calorimetric adsorption data.

Main Results:

  • Identified MOFs with open metal sites, especially Fe-MOF-74, as effective for acetylene separation, balancing capacity and selectivity.
  • Validated computational models against experimental data for pure components, confirming their reliability for mixture separations.
  • Characterized guest-molecule interactions within MOFs at a molecular level.

Conclusions:

  • Computational modeling provides valuable insights into challenging gas separations and MOF performance.
  • Fe-MOF-74 shows potential for acetylene separation, with further optimization possible through understanding molecular interactions.
  • The validated models can accurately predict the separation of gas mixtures, supporting the development of advanced MOF materials.