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Protein folding problem: Is it possible to predict the secondary, tertiary and quaternary structure of a polypeptide sequence based solely on the sequence and environmental information? Inverse protein-folding problem: Is it possible to design a polypeptide sequence which will adopt a given structure under certain environmental conditions?
Enthalpy (/ ˈ ɛ n θ əl p i / ⓘ) is the sum of a thermodynamic system's internal energy and the product of its pressure and volume. [1] It is a state function in thermodynamics used in many measurements in chemical, biological, and physical systems at a constant external pressure, which is conveniently provided by the large ambient atmosphere.
Hess's law states that the change of enthalpy in a chemical reaction is the same regardless of whether the reaction takes place in one step or several steps, provided the initial and final states of the reactants and products are the same. Enthalpy is an extensive property, meaning that its value is proportional to the system size. [4]
In an exothermic reaction, by definition, the enthalpy change has a negative value: ΔH = H products - H reactants < 0. where a larger value (the higher energy of the reactants) is subtracted from a smaller value (the lower energy of the products). For example, when hydrogen burns: 2H 2 (g) + O 2 (g) → 2H 2 O (g) ΔH⚬ = −483.6 kJ/mol [3]
J. Willard Gibbs - founder of chemical thermodynamics. In 1865, the German physicist Rudolf Clausius, in his Mechanical Theory of Heat, suggested that the principles of thermochemistry, e.g. the heat evolved in combustion reactions, could be applied to the principles of thermodynamics. [2]
Enthalpy and isochoric specific heat capacity are very useful mathematical constructs, since when analyzing a process in an open system, the situation of zero work occurs when the fluid flows at constant pressure. In an open system, enthalpy is the quantity which is useful to use to keep track of energy content of the fluid.
The definition of the Gibbs function is = + where H is the enthalpy defined by: = +. Taking differentials of each definition to find dH and dG, then using the fundamental thermodynamic relation (always true for reversible or irreversible processes): = where S is the entropy, V is volume, (minus sign due to reversibility, in which dU = 0: work other than pressure-volume may be done and is equal ...
In thermochemistry, a thermochemical equation is a balanced chemical equation that represents the energy changes from a system to its surroundings.One such equation involves the enthalpy change, which is denoted with In variable form, a thermochemical equation would appear similar to the following: