Force field (chemistry)In the context of chemistry and molecular modelling, a force field is a computational method that is used to estimate the forces between atoms within molecules and also between molecules. More precisely, the force field refers to the functional form and parameter sets used to calculate the potential energy of a system of atoms or coarse-grained particles in molecular mechanics, molecular dynamics, or Monte Carlo simulations. The parameters for a chosen energy function may be derived from experiments in physics and chemistry, calculations in quantum mechanics, or both.
EpitaxyEpitaxy (prefix epi- means "on top of”) refers to a type of crystal growth or material deposition in which new crystalline layers are formed with one or more well-defined orientations with respect to the crystalline seed layer. The deposited crystalline film is called an epitaxial film or epitaxial layer. The relative orientation(s) of the epitaxial layer to the seed layer is defined in terms of the orientation of the crystal lattice of each material.
Red mudRed mud, now more frequently termed bauxite residue, is an industrial waste generated during the processing of bauxite into alumina using the Bayer process. It is composed of various oxide compounds, including the iron oxides which give its red colour. Over 95% of the alumina produced globally is through the Bayer process; for every tonne of alumina produced, approximately 1 to 1.5 tonnes of red mud are also produced. Annual production of alumina in 2020 was over 133 million tonnes resulting in the generation of over 175 million tonnes of red mud.
Ionic crystalIn chemistry, an ionic crystal is a crystalline form of an ionic compound. They are solids consisting of ions bound together by their electrostatic attraction into a regular lattice. Examples of such crystals are the alkali halides, including potassium fluoride (KF), potassium chloride (KCl), potassium bromide (KBr), potassium iodide (KI), sodium fluoride (NaF). Sodium chloride (NaCl) has a 6:6 co-ordination. The properties of NaCl reflect the strong interactions that exist between the ions.
Standard molar entropyIn chemistry, the standard molar entropy is the entropy content of one mole of pure substance at a standard state of pressure and any temperature of interest. These are often (but not necessarily) chosen to be the standard temperature and pressure. The standard molar entropy at pressure = is usually given the symbol S°, and has units of joules per mole per kelvin (J⋅mol−1⋅K−1). Unlike standard enthalpies of formation, the value of S° is absolute. That is, an element in its standard state has a definite, nonzero value of S at room temperature.
Verneuil methodThe Verneuil method (or Verneuil process or Verneuil technique), also called flame fusion, was the first commercially successful method of manufacturing synthetic gemstones, developed in the late 1883 by the French chemist Auguste Verneuil. It is primarily used to produce the ruby, sapphire and padparadscha varieties of corundum, as well as the diamond simulants rutile, strontium titanate and spinel. The principle of the process involves melting a finely powdered substance using an oxyhydrogen flame, and crystallising the melted droplets into a boule.
SuperplasticizerSuperplasticizers (SPs), also known as high range water reducers, are additives used for making high-strength concrete or to place self-compacting concrete. Plasticizers are chemical compounds enabling the production of concrete with approximately 15% less water content. Superplasticizers allow reduction in water content by 30% or more. These additives are employed at the level of a few weight percent. Plasticizers and superplasticizers also retard the setting and hardening of concrete.
