Standard electrode potentialIn electrochemistry, standard electrode potential , or , is a measure of the reducing power of any element or compound. The IUPAC "Gold Book" defines it as: "the value of the standard emf (electromotive force) of a cell in which molecular hydrogen under standard pressure is oxidized to solvated protons at the left-hand electrode". The basis for an electrochemical cell, such as the galvanic cell, is always a redox reaction which can be broken down into two half-reactions: oxidation at anode (loss of electron) and reduction at cathode (gain of electron).
Standard hydrogen electrodeIn electrochemistry, the standard hydrogen electrode (abbreviated SHE), is a redox electrode which forms the basis of the thermodynamic scale of oxidation-reduction potentials. Its absolute electrode potential is estimated to be 4.44 ± 0.02 V at 25 °C, but to form a basis for comparison with all other electrochemical reactions, hydrogen's standard electrode potential (E°) is declared to be zero volts at any temperature. Potentials of all other electrodes are compared with that of the standard hydrogen electrode at the same temperature.
RedoxRedox (ˈrɛdɒks , ˈriːdɒks , reduction–oxidation or oxidation–reduction) is a type of chemical reaction in which the oxidation states of substrate change. Oxidation is the loss of electrons or an increase in the oxidation state, while reduction is the gain of electrons or a decrease in the oxidation state. There are two classes of redox reactions: Electron-transfer – Only one (usually) electron flows from the atom being oxidized to the atom that is reduced. This type of redox reaction is often discussed in terms of redox couples and electrode potentials.
Palladium-hydrogen electrodeThe palladium-hydrogen electrode (abbreviation: Pd/H2) is one of the common reference electrodes used in electrochemical study. Most of its characteristics are similar to the standard hydrogen electrode (with platinum). But palladium has one significant feature—the capability to absorb (dissolve into itself) molecular hydrogen. Two phases can coexist in palladium when hydrogen is absorbed: alpha-phase at hydrogen concentration less than 0.025 atoms per atom of palladium beta-phase at hydrogen concentration corresponding to the non-stoichiometric formula PdH0.
Reduction potentialRedox potential (also known as oxidation / reduction potential, ORP, pe, , or ) is a measure of the tendency of a chemical species to acquire electrons from or lose electrons to an electrode and thereby be reduced or oxidised respectively. Redox potential is expressed in volts (V). Each species has its own intrinsic redox potential; for example, the more positive the reduction potential (reduction potential is more often used due to general formalism in electrochemistry), the greater the species' affinity for electrons and tendency to be reduced.
Molecular dynamicsMolecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.
Reference electrodeA reference electrode is an electrode that has a stable and well-known electrode potential. The overall chemical reaction taking place in a cell is made up of two independent half-reactions, which describe chemical changes at the two electrodes. To focus on the reaction at the working electrode, the reference electrode is standardized with constant (buffered or saturated) concentrations of each participant of the redox reaction. There are many ways reference electrodes are used.
Reversible hydrogen electrodeA reversible hydrogen electrode (RHE) is a reference electrode, more specifically a subtype of the standard hydrogen electrodes, for electrochemical processes. Unlike the standard hydrogen electrode, its measured potential does change with the pH, so it can be directly used in the electrolyte. The name refers to the fact that the electrode is directly immersed in the actual electrolyte solution and not separated by a salt bridge. The hydrogen ion concentration is therefore not 1 mol/L, or 1 mol/kg, but corresponds to that of the electrolyte solution.
Quantum stateIn quantum physics, a quantum state is a mathematical entity that embodies the knowledge of a quantum system. Quantum mechanics specifies the construction, evolution, and measurement of a quantum state. The result is a quantum mechanical prediction for the system represented by the state. Knowledge of the quantum state together with the quantum mechanical rules for the system's evolution in time exhausts all that can be known about a quantum system. Quantum states may be defined in different ways for different kinds of systems or problems.
Dynamic hydrogen electrodeA dynamic hydrogen electrode (DHE) is a reference electrode, more specific a subtype of the standard hydrogen electrodes for electrochemical processes by simulating a reversible hydrogen electrode with an approximately 20 to 40 mV more negative potential. A separator in a glass tube connects two electrolytes and a small current is enforced between the cathode and anode.
Standard electrode potential (data page)The data values of standard electrode potentials (E°) are given in the table below, in volts relative to the standard hydrogen electrode, and are for the following conditions: A temperature of . An effective concentration of 1 mol/L for each aqueous species or a species in mercury amalgam (an alloy of mercury with another metal). A partial pressure of 101.325 kPa (absolute) (1 atm, 1.01325 bar) for each gaseous reagent.
Quantum mechanicsQuantum mechanics is a fundamental theory in physics that provides a description of the physical properties of nature at the scale of atoms and subatomic particles. It is the foundation of all quantum physics including quantum chemistry, quantum field theory, quantum technology, and quantum information science. Classical physics, the collection of theories that existed before the advent of quantum mechanics, describes many aspects of nature at an ordinary (macroscopic) scale, but is not sufficient for describing them at small (atomic and subatomic) scales.
Electrode potentialIn electrochemistry, electrode potential is the electromotive force of a galvanic cell built from a standard reference electrode and another electrode to be characterized. By convention, the reference electrode is the standard hydrogen electrode (SHE). It is defined to have a potential of zero volts. It may also be defined as the potential difference between the charged metallic rods and salt solution. The electrode potential has its origin in the potential difference developed at the interface between the electrode and the electrolyte.
EntropyEntropy is a scientific concept, as well as a measurable physical property, that is most commonly associated with a state of disorder, randomness, or uncertainty. The term and the concept are used in diverse fields, from classical thermodynamics, where it was first recognized, to the microscopic description of nature in statistical physics, and to the principles of information theory.
Computational chemistryComputational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
Entropy (statistical thermodynamics)The concept entropy was first developed by German physicist Rudolf Clausius in the mid-nineteenth century as a thermodynamic property that predicts that certain spontaneous processes are irreversible or impossible. In statistical mechanics, entropy is formulated as a statistical property using probability theory. The statistical entropy perspective was introduced in 1870 by Austrian physicist Ludwig Boltzmann, who established a new field of physics that provided the descriptive linkage between the macroscopic observation of nature and the microscopic view based on the rigorous treatment of large ensembles of microstates that constitute thermodynamic systems.
Entropy productionEntropy production (or generation) is the amount of entropy which is produced during heat process to evaluate the efficiency of the process. Entropy is produced in irreversible processes. The importance of avoiding irreversible processes (hence reducing the entropy production) was recognized as early as 1824 by Carnot. In 1865 Rudolf Clausius expanded his previous work from 1854 on the concept of "unkompensierte Verwandlungen" (uncompensated transformations), which, in our modern nomenclature, would be called the entropy production.
Entropy (classical thermodynamics)In classical thermodynamics, entropy () is a property of a thermodynamic system that expresses the direction or outcome of spontaneous changes in the system. The term was introduced by Rudolf Clausius in the mid-19th century to explain the relationship of the internal energy that is available or unavailable for transformations in form of heat and work. Entropy predicts that certain processes are irreversible or impossible, despite not violating the conservation of energy.
Molecular mechanicsMolecular mechanics uses classical mechanics to model molecular systems. The Born–Oppenheimer approximation is assumed valid and the potential energy of all systems is calculated as a function of the nuclear coordinates using force fields. Molecular mechanics can be used to study molecule systems ranging in size and complexity from small to large biological systems or material assemblies with many thousands to millions of atoms.
Quantum channelIn quantum information theory, a quantum channel is a communication channel which can transmit quantum information, as well as classical information. An example of quantum information is the state of a qubit. An example of classical information is a text document transmitted over the Internet. More formally, quantum channels are completely positive (CP) trace-preserving maps between spaces of operators. In other words, a quantum channel is just a quantum operation viewed not merely as the reduced dynamics of a system but as a pipeline intended to carry quantum information.
