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Heat of formation group additivity methods in thermochemistry enable the calculation and prediction of heat of formation of organic compounds based on
Heat of formation group additivity
Heat_of_formation_group_additivity
Thermodynamic model in physical chemistry
Benson group-increment theory (BGIT), group-increment theory, or Benson group additivity uses the experimentally calculated heat of formation for individual
Benson_group_increment_theory
Change of enthalpy during the formation of a compound from its elements
predict heats of formation for simple unstrained organic compounds with the heat of formation group additivity method. The standard enthalpy change of any
Standard enthalpy of formation
Standard_enthalpy_of_formation
Pairs of molecules with same chemical formula showing different spatial orientations
indicating higher thermochemical stability. In the Benson heat of formation group additivity dataset, cis isomers suffer a 1.10 kcal/mol stability penalty
Cis–trans_isomerism
Thermodynamic model
gas enthalpy of formation, standard ideal gas Gibbs energy of formation, ideal gas heat capacity, enthalpy of vaporization, enthalpy of fusion, normal
Group-contribution_method
Thermodynamic model
simple additive group parameters and group-interaction parameters. The big advantage of using only simple group parameters is the small number of needed
Joback_method
Prolonged period of excessively hot weather
A heat wave or heatwave, sometimes described as extreme heat, is a period of abnormally hot weather that lasts for multiple days. A heat wave is usually
Heat_wave
Substance introduced to reduce friction between surfaces in mutual contact
contact, which ultimately reduces the heat generated when the surfaces move. It may also have the function of transmitting forces, transporting foreign
Lubricant
Polymer family
ketone (R-CO-R) and ether groups (R-O-R). The linking group R between the functional groups consists of a 1,4-substituted aryl group. PAEK has a continuous
Polyaryletherketone
Phyllosilicate mineral in the pyrophyllite-talc group
It is often used for surfaces of laboratory table tops and electrical switchboards because of its resistance to heat, electricity, and acids. In finely
Talc
Pressure exerted by a vapor in thermodynamic equilibrium
method of Moller et al., and EVAPORATION (Estimation of VApour Pressure of ORganics, Accounting for Temperature, Intramolecular, and Non-additivity effects)
Vapor_pressure
Capacity of a material to conduct heat
The thermal conductivity of a material is a measure of its ability to conduct heat. It is commonly denoted by k {\displaystyle k} , λ {\displaystyle \lambda
Thermal conductivity and resistivity
Thermal_conductivity_and_resistivity
Liquid additive
the boiling point of the liquid, allowing higher coolant temperature. However, all common antifreeze additives also have lower heat capacities than water
Antifreeze
3D printing technique
(SLM) is one of many proprietary names for a metal additive manufacturing (AM) technology that uses a bed of powder with a source of heat to create metal
Selective_laser_melting
Common synthetic polymer
conversion into a compound by the incorporation of additives (but not necessarily all of the following) such as heat stabilizers, UV stabilizers, plasticizers
Polyvinyl_chloride
Chemical process by which polymeric materials are hardened
system reaches the end of the chemical reaction. Curing can be induced by heat, radiation, electron beams, or chemical additives. To quote from IUPAC:
Curing_(chemistry)
Form of thermoplastic adhesive
and additives, e.g. hydrogenated tackifying resins, have to be used. Increase of bond strength and service temperature can be achieved by formation of cross-links
Hot-melt_adhesive
chloride also produces a high amount of heat during hydration. This heat could accelerate the hydration process. This heat causes the casing to expand and
Well_cementing
Combining multiple simulation methods
Martin (2016). "Heats of formation of platonic hydrocarbon cages by means of high-level thermochemical procedures" (PDF). Journal of Computational Chemistry
Quantum chemistry composite methods
Quantum_chemistry_composite_methods
solid-liquid slip boundary (Figure 2) that cools the resin by withdrawing heat from the system. This allows for large structures to be fabricated quickly
High-area_rapid_printing
Chemical compound with formula Na2SO4
number additive E514. The high heat-storage capacity in the phase change from solid to liquid, and the advantageous phase change temperature of 32 °C (90 °F)
Sodium_sulfate
Preservation of biological tissue
denature proteins by coagulation, by forming additive compounds, or by a combination of coagulation and additive processes. A compound that adds chemically
Fixation_(histology)
Methods used for additive 3D manufacturing
A variety of processes, equipment, and materials are used in the production of a three-dimensional object via additive manufacturing. Techniques include
3D_printing_processes
Chemical compound
(1981). "Formation of Volatile Compounds in Sugar-Phenylalanine and Ascorbic Acid-Phenylalanine Model Systems during Heat Treatment". Journal of Food Science
Chemistry_of_ascorbic_acid
Lubricant used for internal combustion engines
fuel and from oxidation of the lubricant (detergents), improves the sealing of piston rings, and cools the engine by carrying heat away from moving parts
Motor_oil
Chemical compound
in a molten state as a heat transfer medium. Sodium nitrite is used to speed up the curing of meat, inhibit the germination of Clostridium botulinum spores
Sodium_nitrite
Thermoplastic polymer
properties are similar to polyethylene, but it is slightly harder and more heat-resistant. It is a white, mechanically rugged material and has a high chemical
Polypropylene
Pyrotechnic composition of metal powder and metal oxide
Thermite (/ˈθɜːrmaɪt/) is a pyrotechnic composition of metal powder and metal oxide. When ignited by heat or chemical reaction, thermite undergoes an exothermic
Thermite
melt at low temperatures, resulting in better chip formation, similar to free machining steel. The heat resistance is increased by adding nickel and iron
Aluminium–copper_alloys
Substance with high latent heat of melting or solidifying
transition to provide useful heat or cooling. Generally the transition will be from one of the first two fundamental states of matter - solid and liquid
Phase-change_material
Compounds formed from phosphate monomeric units
char formation and inhibit flame propagation. When exposed to heat, polyphosphates decompose to form phosphoric acid, which facilitates the creation of a
Polyphosphate
Organic compounds of the form R–O–O–R′
the peroxide functional group (R−O−O−R′). If the R′ is hydrogen, the compounds are called organic hydroperoxides. The O−O bond of peroxides easily breaks
Organic_peroxides
Eighteen-carbon straight-chain fatty acid
stearate is an important component of grease. The stearate salts of zinc, calcium, cadmium, and lead are used as heat stabilizers for PVC. Stearic acid
Stearic_acid
polymers to use for PDC processing on a wide range of applications such as heat exchangers, heat sinks, scaffolding for bone tissue growth, chemical/
Polymer-derived_ceramics
Additive process used to make a 3D object
called additive manufacturing, is the construction of a three-dimensional object from a CAD model or a digital 3D model. It can be done in a variety of processes
3D_printing
Soft, siliceous sedimentary rock
Sisquoc Formation in Santa Barbara County, California near Lompoc and along the Southern California coast. This is the world's largest deposit of diatomite
Diatomaceous_earth
Metal alloys made by combining titanium with other elements
responsive to heat treatment and can substantially decrease the alloy's toughness. Many alloys also contain titanium as a minor additive, but since alloys
Titanium_alloys
Alloy with higher durability than normal metals
sometimes called a heat-resistant superalloy (HRSA) or a high-performance alloy, is an alloy with the ability to operate at a high fraction of its melting point
Superalloy
Chemical compound
supersaturated solution of sodium acetate in water is supplied with a device to initiate crystallization, a process that releases substantial heat. Sodium acetate
Sodium_acetate
as resistance to heat and moisture, rendering it highly effective in protecting devices from environmental factors. The development of semiconductor technology
Epoxy_molding_compounds
Organic compound
exothermic, with the reaction heat from the first reaction driving the second. The conditions that favor urea formation (high temperature) have an unfavorable
Urea
Aid for drilling boreholes into the ground
are used along with appropriate polymer and clay additives for drilling various oil and gas formations. Gaseous drilling fluids, typically utilizing air
Drilling_fluid
Caustic soda, with formula NaOH
the hydration of sulfuric acid, dissolution of solid sodium hydroxide in water is a highly exothermic reaction where a large amount of heat is liberated
Sodium_hydroxide
Organic compound ethane-1,2-diol
temperature of water. In geothermal heating/cooling systems, ethylene glycol is the fluid that transports heat through the use of a geothermal heat pump. The
Ethylene_glycol
Chemical compound
the dehydration of carbon-based poly-alcohols, such as cellulose in wood. The phosphoric acid reacts with alcohol groups to form heat-unstable phosphate
Ammonium_polyphosphate
Production of peptides
removal of these groups, to allow for selective exposure of free thiol groups, leads to disulfide formation in a stepwise manner. The order of removal of the
Peptide_synthesis
span of several microseconds. The diamond yield after detonation crucially depends on the synthesis condition and especially on the heat capacity of the
Detonation_nanodiamond
Chemical element with atomic number 3 (Li)
several industrial applications, including heat-resistant glass and ceramics, lithium grease lubricants, flux additives for iron, steel and aluminium production
Lithium
Type of plaster
resistance and moisture buffering capacity. Biopolymers are a broad group of additives that are produced from plants or animals. They can serve many purposes:
Earthen_plaster
Alloy known for shape-memory effect
greater than 55.5% then the heat treatment temperature is in the range of 600 to 900 degrees Celsius Additive manufacturing methods of nitinol are being explored
Nickel_titanium
Chemical compound
acid groups (RCO2H). These groups allow crosslinking through the addition of zinc (Zn2+) additives. The carboxyl groups are present at levels of 10% or
Nitrile_rubber
Polymer composed of a chain of organic units joined by carbamate (urethane) links
polyurethane refers to a group of polymers. Unlike polyethylene and polystyrene, polyurethanes can be produced from a wide range of starting materials, resulting
Polyurethane
Organic compound (CH3CO2CH2CH3)
Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. M. E. Butwill, J. D. Rockenfeller: Heats of combustion and formation of ethyl acetate and
Ethyl_acetate
Increases the viscosity of a liquid without altering its other properties
polar and an apolar group. The only change is in the orientation of these groups. In the non-polar medium reverse micelle formation occurs. Because the
Thickening_agent
Ease with which a metal can be cut
grain size, heat treatment, chemical composition, fabrication, hardness, yield strength, and tensile strength. Physical properties are those of the individual
Machinability
Simplest secondary alcohol
isopropoxide. As an isopropyl group linked to a hydroxyl group (chemical formula (CH3)2CHOH) it is the simplest example of a secondary alcohol, where the
Isopropyl_alcohol
Chemical element with atomic number 47 (Ag)
+1 oxidation state of silver is stable even in the absence of π-acceptor ligands. Silver does not react with air, even at red heat, and thus was considered
Silver
Phenomenon in chemistry
reacts directly with polymer to form a ketone group (acetophenone) and a terminal alkene without the formation of additional radicals. Polystyrene is observed
Photo-oxidation_of_polymers
Chemical salt used in cooking as cream of tartar
the whiteness of interior crumbs without making the cake too tender, is about 1/4 tsp per egg white. As an acid, cream of tartar with heat reduces sugar
Potassium_bitartrate
Vegetable gum from the guar bean, Cyamopsis tetragonoloba
agents, and fluid loss control materials are among the additives that assist fracture creation. Formation damage is minimized by incorporating breakers, biocides
Guar_gum
Chemical compound of calcium
largest, with around 20 million tonnes per year. Heat: Quicklime releases thermal energy by the formation of the hydrate, calcium hydroxide, by the following
Calcium_oxide
Polymer material
thermosets by the incorporation of dynamic covalent chemistry into the polymer network. When a stimulus (for example heat, light, pH, ...) is applied to
Covalent_adaptable_network
Type of crystallographic defect
alkali chlorides the wavelength of the F center absorption band ranges from violet to yellow light. The formation of F centers is the reason that some
F-center
Chemical compound
and the resulting heat propagates the reaction throughout the rest of the sample. Chromium carbide is useful in the surface treatment of metal components
Chromium(II)_carbide
Device that converts heat flux into electrical energy
converts heat (driven by temperature differences) directly into electrical energy through a phenomenon called the Seebeck effect (a form of thermoelectric
Thermoelectric_generator
Type of material
reduce cost. Use of blending, additives and fillers is often referred to as formulating. All quantities of mix generate their own heat because the reaction
Epoxy
Chemical element with atomic number 25 (Mn)
in macronutrient metabolism, bone formation, and free radical defense systems. It is a critical component in dozens of proteins and enzymes. It is found
Manganese
Alteration in the polymer properties under the influence of environmental factors
involve the complete degradation of a polymer back into monomers or other chemicals. In general, the effects of heat, light, air and water are the most
Polymer_degradation
Single chain calcium inosilicate (CaSiO3)
in the formation of wollastonite in the sandstone as a result of outward migration of Ca. Wollastonite crystallizes triclinically in space group P1 with
Wollastonite
Sweet chemicals derived from the Stevia plant
some disagreement in the technical literature about these numbers. They are heat-stable, pH-stable, and do not ferment. Steviol glycosides do not induce a
Steviol_glycoside
Chemical compound
explain the biological action of nitrite. Potassium nitrite is used in the manufacturing of heat transfer salts. As a food additive with the E number E249,
Potassium_nitrite
Process to transform the material properties of natural rubber
possessing lower numbers of sulfur atoms, give the rubber better resistance to heat and weathering. Longer crosslinks, with higher numbers of sulfur atoms, give
Sulfur_vulcanization
Assembly of heat engines that work in tandem from the same source of heat
combined-cycle power plant is an assembly of heat engines that work in tandem from the same source of heat, converting it into mechanical energy. On land
Combined-cycle_power_plant
Stabilizer added to polymeric materials
against heat, oxidation, and UV light. The biggest quantity of stabilizers is used for polyvinyl chloride (PVC), as the production and processing of this
Polymer_stabilizer
Non-nutritive sweetener
E number E955. It is produced by chlorination of sucrose, selectively replacing three of the hydroxy groups. Sucralose is about 600 times sweeter than sucrose
Sucralose
Solid metallic material with disordered atomic-scale structure
"locked" in a glassy state. Alloys with cooling rates low enough to allow formation of amorphous structure in thick layers (i.e., over 1 millimetre or 0.039
Amorphous_metal
Chemical compound naturally occurring as periclase
soluble and releases less hydration heat. Another advantage is to impose a lower pH value (about 10.5) in case of accidental water ingress into the dry
Magnesium_oxide
Class of functional groups with a –N=O group attached
of nitrite to myoglobin, encouraging the formation of the desired pink color. Nitrosamine, the functional group with the NO attached to an amine, such as
Nitroso
Chemical compound
the formation of inhomogeneous precipitate Cr4.6MoNi2.1, which pins dislocations and prevents further coarsening of the γ' phase. The addition of Fe and
Nickel_aluminide
Family of polymers
or acrylate groups have been cross linked to yield preceramic polymers, which can be photopolymerised for the additive manufacturing of polymer derived
Silicone
Chemical compound
824 °C, is reached. The behaviour of Bi2O3 on cooling from the δ-phase is more complex, with the possible formation of two intermediate metastable phases;
Bismuth(III)_oxide
Chemical compound – an oxide of copper with formula Cu2O
color of the cuprous oxide is highly sensitive to the procedural details. Cu2O degrades to copper(II) oxide in moist air.[citation needed] Formation of copper(I)
Copper(I)_oxide
Inorganic compound of formula Mg(OH)2
332 °C (630 °F): Mg(OH)2 → MgO + H2O The heat absorbed by the reaction retards the fire by delaying ignition of the associated substance. The water released
Magnesium_hydroxide
Chemical compound
food, particularly as a result of heating or cooking. Its formation has been the topic of significant study as HMF was regarded as being potentially
Hydroxymethylfurfural
Chemical compound
from fossil fuel exhausts of e.g. power plants. Calcium formate is added to wet calcium carbonate to promote the formation of gypsum when exhaust is run
Calcium_formate
Metal-joining technique
efficient transfer of heat throughout the joint and doing so within the heat capacity of the individual base metals used. The geometry of the braze joint
Brazing
Chemical reaction to form polymer chains
called heat management, during these reactions, which are often highly exothermic. For example, for the polymerization of ethylene, 93.6 kJ of energy
Polymerization
Thermal decomposition of materials
involving the formation of polymer derived ceramics from preceramic polymers under an inert atmosphere. Catagenesis, the natural conversion of buried organic
Pyrolysis
Chemical compound
contains two alcohol groups, it is classified as a diol. An aliphatic diol may also be called a glycol. It is miscible with a broad range of solvents, including
Propylene_glycol
Colourless soluble salt of acetic acid
its formation. It offers the advantages over chlorides of being less aggressive on soils and much less corrosive: for this reason, it is one of the preferred
Potassium_acetate
White powder insoluble in water
of 4.5 on the Mohs scale. Its elastic constants are smaller than those of relevant III-V semiconductors, such as GaN. The high heat capacity and heat
Zinc_oxide
Frozen water; the solid state of water
liquid water. The amount of energy consumed in breaking hydrogen bonds in the transition from ice to water is known as the heat of fusion. As with water
Ice
Chemical compound
white, waxy powder with a characteristic odor, and is one of the components of the food additive E499. Phytosterols are hydrophobic and soluble in alcohols
Β-Sitosterol
Type of refractory ceramics
carbides, nitrides, and oxides of early transition metals. UHTCs are used in various high-temperature applications, such as heat shields for spacecraft, furnace
Ultra-high temperature ceramic
Ultra-high_temperature_ceramic
Chemical compound of sulfur and oxygen
significant amount of heat produced is recovered by steam generation that can subsequently be converted to electricity. The combustion of hydrogen sulfide
Sulfur_dioxide
Chemical derived from gypsum used in food and industry
temperatures γ-anhydrite begins to form. The heat energy delivered to the gypsum at this time (the heat of hydration) tends to go into driving off water
Calcium_sulfate
Measure of temperature relative to absolute zero
was defined by Lord Kelvin in terms of a relation between the macroscopic quantities thermodynamic work and heat transfer as defined in thermodynamics
Thermodynamic_temperature
Chemical compound (H2SO4)
considerable amount of heat is released; thus, the reverse procedure of adding water to the acid is generally avoided since the heat released may boil the
Sulfuric_acid
Chemical element with atomic number 19 (K)
Elemental potassium reacts vigorously with water, generating sufficient heat to ignite hydrogen emitted in the reaction, and burning with a lilac-colored
Potassium
Chemical element with atomic number 39 (Y)
graphite–Y 2O 3 leads to the formation of endohedral fullerenes such as Y@C82. Electron spin resonance studies indicated the formation of Y3+ and (C82)3− ion pairs
Yttrium
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