A Bjerrum defect is a crystallographic defect which is specific to ice, and which is partly responsible for the electrical properties of ice. [1] It was first proposed by Niels Bjerrum in 1952 in order to explain the electrical polarization of ice in an electric field. [2] A hydrogen bond normally has one proton, but a hydrogen bond with a Bjerrum defect will have either two protons (D defect, from "doppel" in German, meaning "double" [3] ) or no proton (L defect, from "leer" in German, meaning "empty" [3] ). D-defects are more energetically favorable than L-defects. [4] The unfavorable defect strain is resolved when a water molecule pivots about an oxygen atom to produce hydrogen bonds with single protons. Dislocations of ice Ih along a slip plane create pairs of Bjerrum defects, one D defect and one L defect. [5]
Nonpolar molecules such as methane can form clathrate hydrates with water, especially under high pressure. Although there is no hydrogen bonding of water molecules when methane is the guest molecule of the clathrate, guest-host hydrogen bonding often forms with guest molecules in clathrates of many larger organic molecules, such as pinacolone and tetrahydrofuran. In such cases the guest-host hydrogen bonds result in the formation of L-type Bjerrum defect in the clathrate lattice. [6] Oxygen atoms (in alcohol or carbonyl functional groups) and nitrogen atoms (in amine functional groups) in the guest molecules lead to transient hydrogen bonds and misoriented water molecules in the hydrate lattice. [7]
In organic chemistry, an alkane, or paraffin, is an acyclic saturated hydrocarbon. In other words, an alkane consists of hydrogen and carbon atoms arranged in a tree structure in which all the carbon–carbon bonds are single. Alkanes have the general chemical formula CnH2n+2. The alkanes range in complexity from the simplest case of methane, where n = 1, to arbitrarily large and complex molecules, like pentacontane or 6-ethyl-2-methyl-5-(1-methylethyl) octane, an isomer of tetradecane.
A chemical bond is the association of atoms or ions to form molecules, crystals, and other structures. The bond may result from the electrostatic force between oppositely charged ions as in ionic bonds or through the sharing of electrons as in covalent bonds, or some combination of these effects. Chemical bonds are described as having different strengths: there are "strong bonds" or "primary bonds" such as covalent, ionic and metallic bonds, and "weak bonds" or "secondary bonds" such as dipole–dipole interactions, the London dispersion force, and hydrogen bonding.
A crystallographic defect is an interruption of the regular patterns of arrangement of atoms or molecules in crystalline solids. The positions and orientations of particles, which are repeating at fixed distances determined by the unit cell parameters in crystals, exhibit a periodic crystal structure, but this is usually imperfect. Several types of defects are often characterized: point defects, line defects, planar defects, bulk defects. Topological homotopy establishes a mathematical method of characterization.
In chemistry, a hydrogen bond is primarily an electrostatic force of attraction between a hydrogen (H) atom which is covalently bonded to a more electronegative "donor" atom or group (Dn), and another electronegative atom bearing a lone pair of electrons—the hydrogen bond acceptor (Ac). Such an interacting system is generally denoted Dn−H···Ac, where the solid line denotes a polar covalent bond, and the dotted or dashed line indicates the hydrogen bond. The most frequent donor and acceptor atoms are the period 2 elements nitrogen (N), oxygen (O), and fluorine (F).
In chemistry, hydronium is the cation [H3O]+, also written as H3O+, the type of oxonium ion produced by protonation of water. It is often viewed as the positive ion present when an Arrhenius acid is dissolved in water, as Arrhenius acid molecules in solution give up a proton to the surrounding water molecules. In fact, acids must be surrounded by more than a single water molecule in order to ionize, yielding aqueous H+ and conjugate base.
Methane clathrate (CH4·5.75H2O) or (4CH4·23H2O), also called methane hydrate, hydromethane, methane ice, fire ice, natural gas hydrate, or gas hydrate, is a solid clathrate compound (more specifically, a clathrate hydrate) in which a large amount of methane is trapped within a crystal structure of water, forming a solid similar to ice. Originally thought to occur only in the outer regions of the Solar System, where temperatures are low and water ice is common, significant deposits of methane clathrate have been found under sediments on the ocean floors of the Earth (approx. 1100m below the sea level). Methane hydrate is formed when hydrogen-bonded water and methane gas come into contact at high pressures and low temperatures in oceans.
Clathrate hydrates, or gas hydrates, clathrates, or hydrates, are crystalline water-based solids physically resembling ice, in which small non-polar molecules or polar molecules with large hydrophobic moieties are trapped inside "cages" of hydrogen bonded, frozen water molecules. In other words, clathrate hydrates are clathrate compounds in which the host molecule is water and the guest molecule is typically a gas or liquid. Without the support of the trapped molecules, the lattice structure of hydrate clathrates would collapse into conventional ice crystal structure or liquid water. Most low molecular weight gases, including O2, H2, N2, CO2, CH4, H2S, Ar, Kr, Xe, and Cl2 as well as some higher hydrocarbons and freons, will form hydrates at suitable temperatures and pressures. Clathrate hydrates are not officially chemical compounds, as the enclathrated guest molecules are never bonded to the lattice. The formation and decomposition of clathrate hydrates are first order phase transitions, not chemical reactions. Their detailed formation and decomposition mechanisms on a molecular level are still not well understood. Clathrate hydrates were first documented in 1810 by Sir Humphry Davy who found that water was a primary component of what was earlier thought to be solidified chlorine.
In chemistry, a hydrate is a substance that contains water or its constituent elements. The chemical state of the water varies widely between different classes of hydrates, some of which were so labeled before their chemical structure was understood.
The self-ionization of water (also autoionization of water, autoprotolysis of water, autodissociation of water, or simply dissociation of water) is an ionization reaction in pure water or in an aqueous solution, in which a water molecule, H2O, deprotonates (loses the nucleus of one of its hydrogen atoms) to become a hydroxide ion, OH−. The hydrogen nucleus, H+, immediately protonates another water molecule to form a hydronium cation, H3O+. It is an example of autoprotolysis, and exemplifies the amphoteric nature of water.
In chemistry, polarity is a separation of electric charge leading to a molecule or its chemical groups having an electric dipole moment, with a negatively charged end and a positively charged end.
In chemistry, noble gas compounds are chemical compounds that include an element from the noble gases, group 18 of the periodic table. Although the noble gases are generally unreactive elements, many such compounds have been observed, particularly involving the element xenon.
A clathrate is a chemical substance consisting of a lattice that traps or contains molecules. The word clathrate is derived from the Latin clathratus, meaning 'with bars, latticed'. Most clathrate compounds are polymeric and completely envelop the guest molecule, but in modern usage clathrates also include host–guest complexes and inclusion compounds. According to IUPAC, clathrates are inclusion compounds "in which the guest molecule is in a cage formed by the host molecule or by a lattice of host molecules." The term refers to many molecular hosts, including calixarenes and cyclodextrins and even some inorganic polymers such as zeolites.
The Grotthuss mechanism is a model for the process by which an 'excess' proton or proton defect diffuses through the hydrogen bond network of water molecules or other hydrogen-bonded liquids through the formation and concomitant cleavage of covalent bonds involving neighboring molecules.
Methane is a chemical compound with the chemical formula CH4. It is a group-14 hydride, the simplest alkane, and the main constituent of natural gas. The abundance of methane on Earth makes it an economically attractive fuel, although capturing and storing it is difficult because it is a gas at standard temperature and pressure. In the Earth's atmosphere methane is transparent to visible light but absorbs infrared radiation, acting as a greenhouse gas. Methane is an organic compound, and among the simplest of organic compounds. Methane is also a hydrocarbon.
Water is a polar inorganic compound that is at room temperature a tasteless and odorless liquid, which is nearly colorless apart from an inherent hint of blue. It is by far the most studied chemical compound and is described as the "universal solvent" and the "solvent of life". It is the most abundant substance on the surface of Earth and the only common substance to exist as a solid, liquid, and gas on Earth's surface. It is also the third most abundant molecule in the universe.
In chemistry, ice rules are basic principles that govern arrangement of atoms in water ice. They are also known as Bernal–Fowler rules, after British physicists John Desmond Bernal and Ralph H. Fowler who first described them in 1933.
A hydrogen clathrate is a clathrate containing hydrogen in a water lattice. This substance is interesting due to its possible use to store hydrogen in a hydrogen economy. A recent review that accounts the state-of-the-art and future prospects and challenges of hydrogen storage as clathrate hydrates is reported by Veluswamy et al. (2014). Another unusual characteristic is that multiple hydrogen molecules can occur at each cage site in the ice, one of only a very few guest molecule that forms clathrates with this property. The maximum ratio of hydrogen to water is 6 H2 to 17 H2O. It can be formed at 250K in a diamond anvil at a pressure of 300MPa (3000 Bars). It takes about 30 minutes to form, so this method is impractical for rapid manufacture. The percent of weight of hydrogen is 3.77%. The cage compartments are hexakaidecahedral and hold from two to four molecules of hydrogen. At temperatures above 160K the molecules rotate around inside the cage. Below 120K the molecules stop racing around the cage, and below 50K are locked into a fixed position. This was determined with deuterium in a neutron scattering experiment.
The phases of ice are all possible states of matter for water as a solid. Variations in pressure and temperature give rise to different phases, which have varying properties and molecular geometries. Currently, twenty one phases, including both crystalline and amorphous ices have been observed. In modern history, phases have been discovered through scientific research with various techniques including pressurization, force application, nucleation agents, and others.
Solid nitrogen is a number of solid forms of the element nitrogen, first observed in 1884. Solid nitrogen is mainly the subject of academic research, but low-temperature, low-pressure solid nitrogen is a substantial component of bodies in the outer Solar System and high-temperature, high-pressure solid nitrogen is a powerful explosive, with higher energy density than any other non-nuclear material.
Nitrogen clathrate or nitrogen hydrate is a clathrate consisting of ice with regular crystalline cavities that contain nitrogen molecules. Nitrogen clathrate is a variety of air hydrates. It occurs naturally in ice caps on Earth, and is believed to be important in the outer Solar System on moons such as Titan and Triton which have a cold nitrogen atmosphere.