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Cohesion01:07

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Cohesion is the attraction between molecules of the same type, such as water molecules. Water molecules have an overall neutral charge but are polar molecule. An oxygen atom in one water molecule has a partial negative charge that can bind to a hydrogen atom with a partial positive charge in a second water molecule, forming a hydrogen bond. Each water molecule can form up to four hydrogen bonds with other water molecules. Hydrogen bonds are responsible for water's cohesive nature.
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Coagulation01:06

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Colloidal solids are solid particles suspended in solution. They are usually negatively charged, attracting a compact primary layer of positively charged ions, which attract more counterions to form an electrical double layer. Electrostatic repulsion between the charged double layers prevents the particles from colliding, stabilizing the colloids. These solids are often undesirable because they can contain toxins that are difficult to remove. Coagulation is a technique that helps aggregate and...
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Aggregates contain pores of varying sizes; while some are completely enclosed within the particles, others open onto the surface, allowing water to penetrate. The porosity of aggregates is a major factor contributing to the overall porosity of concrete, given that aggregates constitute about three-quarters of concrete's volume.
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Shape and Texture of Coarse Aggregate01:25

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Aggregate shape is classified based on the relative sharpness or roundness of the edges and corners. This classification includes categories like rounded, angular, elongated, and flaky, each with specific characteristics. Rounded aggregates, fully shaped by attrition, are typical of river or seashore gravel, while angular aggregates, such as crushed rock, have well-defined edges. Aggregates that are elongated and flaky are less desirable, as they can reduce the workability and strength of...
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Colloids03:22

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Children at play often make suspensions such as mixtures of mud and water, flour and water, or a suspension of solid pigments in water known as tempera paint. These suspensions are heterogeneous mixtures composed of relatively large particles that are visible to the naked eye or can be seen with a magnifying glass. They are cloudy, and the suspended particles settle out after mixing. On the other hand, a solution is a homogeneous mixture in which no settling occurs and in which the dissolved...
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Aggregate classification is generally based on its size, petrographic characteristics, weight, and source. Size classification ranges from coarse to fine aggregates, defined by the size of the particles. Coarse aggregates are particles that do not pass through ASTM sieve No. 4, and aggregates that pass through the sieve are fine aggregates.
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Descriptors of water aggregation.

Garrett D Santis1, Kristina M Herman1, Joseph P Heindel1

  • 1Department of Chemistry, University of Washington, Seattle, Washington 98195, USA.

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Water cluster size is the main factor determining stability, influencing structural and connectivity patterns. This study identifies key descriptors for understanding water cluster evolution and stability across various sizes.

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Area of Science:

  • Computational Chemistry
  • Physical Chemistry
  • Materials Science

Background:

  • Water clusters are fundamental to understanding liquid water properties.
  • Characterizing water cluster structures and stability is crucial for various scientific disciplines.

Purpose of the Study:

  • To investigate structural and connectivity patterns of water clusters.
  • To identify key descriptors that correlate with water cluster stability and size.

Main Methods:

  • Analysis of a large database of water cluster minima ((H2O)n, n = 3-25).
  • Utilized 23 descriptors including size, structural, and connectivity parameters.
  • Employed Principal Component Analysis (PCA) to identify descriptor dependencies and patterns.

Main Results:

  • Cluster size (n) was the strongest predictor of energetic stability.
  • Covalent OH bond length (rOH) and hydrogen bond saturation (% HB) strongly correlated with cluster size.
  • Significant changes in hydrogen bond network adjacencies and cycle counts were observed upon aggregation.

Conclusions:

  • Identified key descriptors for characterizing water cluster evolution, size, and stability.
  • PCA effectively grouped clusters into distinct structural patterns.
  • The methodology is generalizable to other hydrogen-bonded systems.