In computational chemistry, molecular physics, and physical chemistry, the Lennard-Jones potential is an intermolecular pair potential. Out of all the intermolecular potentials, the Lennard-Jones potential is probably the one that has been the most extensively studied. It is considered an archetype model for simple yet realistic intermolecular interactions. The Lennard-Jones potential is often used as a building block in molecular models for more complex substances. Many studies of the idealized "Lennard-Jones substance" use the potential to understand the physical nature of matter.
Process engineering is the understanding and application of the fundamental principles and laws of nature that allow humans to transform raw material and energy into products that are useful to society, at an industrial level. By taking advantage of the driving forces of nature such as pressure, temperature and concentration gradients, as well as the law of conservation of mass, process engineers can develop methods to synthesize and purify large quantities of desired chemical products. Process engineering focuses on the design, operation, control, optimization and intensification of chemical, physical, and biological processes. Process engineering encompasses a vast range of industries, such as agriculture, automotive, biotechnical, chemical, food, material development, mining, nuclear, petrochemical, pharmaceutical, and software development. The application of systematic computer-based methods to process engineering is "process systems engineering".
In thermodynamics, a critical point is the end point of a phase equilibrium curve. One example is the liquid–vapor critical point, the end point of the pressure–temperature curve that designates conditions under which a liquid and its vapor can coexist. At higher temperatures, the gas cannot be liquefied by pressure alone; at lower pressures, it cannot be liquefied by temperature alone. At the critical point, defined by a critical temperatureTc and a critical pressurepc, phase boundaries vanish. Other examples include the liquid–liquid critical points in mixtures, and the ferromagnet–paramagnet transition in the absence of an external magnetic field.
The University of A Coruña is a Spanish public university located in the city of A Coruña, Galicia. Established in 1989, university departments are divided between two primary campuses in A Coruña and nearby Ferrol. The A Coruña campus is spread over three suburbs on the outskirts of A Coruña: Elviña and Zapateira and Oza.
The University of Vigo is a public university located in the city of Vigo in the Province of Pontevedra, Galicia, Spain. There are three campuses:
Glass databases are a collection of glass compositions, glass properties, glass models, associated trademark names, patents etc. These data were collected from publications in scientific papers and patents, from personal communication with scientists and engineers, and other relevant sources.
Jürgen Gmehling is a retired German professor of technical and industrial chemistry at the Carl von Ossietzky University of Oldenburg.
The UNIFAC Consortium was founded at the Carl von Ossietzky University of Oldenburg at the chair of industrial chemistry of Prof. Gmehling to invite private companies to support the further development of the group-contribution methods UNIFAC and its successor modified UNIFAC (Dortmund). Both models are used for the prediction of thermodynamic properties, especially the estimation of phase equilibria.
The Journal of Chemical Thermodynamics is a monthly peer-reviewed scientific journal covering experimental thermodynamics and thermophysics including bio-thermodynamics, calorimetry, phase equilibria, equilibrium thermodynamic properties and transport properties. It is published by Elsevier. The editors-in-chief are W.E. Acree Jr., N. Kishore, B. F. Woodfield.
VTPR is an estimation method for the calculation of phase equilibria of mixtures of chemical components. The original goal for the development of this method was to enable the estimation of properties of mixtures which contain supercritical components. These class of substances couldn't be predicted with established models like UNIFAC.
John Michael Prausnitz is an emeritus professor of chemical engineering at the University of California, Berkeley.
Athanassios Z. Panagiotopoulos is currently the Susan Dod Brown Professor and Department Chair of the Department of Chemical and Biological Engineering of Princeton University.
María José Alonso Fernandez is a full professor of biopharmaceutics and pharmaceutical technology at the University of Santiago de Compostela. The laboratory she leads is specialized in pharmaceutical nanotechnology and nanomedicine, and her research is oriented to the development of nanostructures for targeted delivery of drugs and vaccines. Her discoveries have led to significant clinical advances in the development of potential new treatments for cancer, ocular diseases, skin diseases, diabetes, obesity and other autoimmune pathologies, as well as new vaccines.
Claire Sandrine Jacqueline Adjiman is a professor of Chemical Engineering at the Department of Chemical Engineering at Imperial College London and a Fellow of the Royal Academy of Engineering.
Marc J. Assael FIChemE CEng is a Greek Chemical Engineer and a professor of Thermophysical Properties.
Joan F. Brennecke is an American chemical engineer who is the Cockrell Family Chair in Engineering in the McKetta Department of Chemical Engineering at the University of Texas at Austin. Brennecke develops supercritical fluids, ionic liquids and novel spectroscopic methods.
The Mie potential is an interaction potential describing the interactions between particles on the atomic level. It is mostly used for describing intermolecular interactions, but at times also for modeling intramolecular interaction, i.e. bonds.
George Jackson,, , is a British professor of chemical physics in the Department of Chemical Engineering at Imperial College London. He is noted for developing molecular models that describe the thermodynamic properties of complex fluids; as one of the developers of statistical associating fluid theory (SAFT); and for his work in molecular systems engineering. His theoretical work has found a wide range of practical applications in industries such as gas extraction and emerging fields like carbon capture and storage.
Statistical associating fluid theory (SAFT) is a chemical theory, based on perturbation theory, that uses statistical thermodynamics to explain how complex fluids and fluid mixtures form associations through hydrogen bonds. Widely used in industry and academia, it has become a standard approach for describing complex mixtures. Since it was first proposed in 1990, SAFT has been used in a large number of molecular-based equation of state models for describing the Helmholtz energy contribution due to association.
Deresh RamjugernathFAAS is a South African professor of Engineering Technology & Applied Sciences. He was a Deputy Vice-Chancellor of Research at the University of KwaZulu-Natal (UKZN) and the current Deputy Vice-Chancellor of Learning and Teaching at Stellenbosch University (SU).
