Melting Points of OPC and OPC3 Water Models
نویسندگان
چکیده
منابع مشابه
The melting temperature of the most common models of water.
The melting temperature of ice I(h) for several commonly used models of water (SPC, SPC/E,TIP3P,TIP4P, TIP4P/Ew, and TIP5P) is obtained from computer simulations at p = 1 bar. Since the melting temperature of ice I(h) for the TIP4P model is now known [E. Sanz, C. Vega, J. L. F. Abascal, and L. G. MacDowell, Phys. Rev. Lett. 92, 255701 (2004)], it is possible to use the Gibbs-Duhem methodology [...
متن کاملsimulation and experimental studies for prediction mineral scale formation in oil field during mixing of injection and formation water
abstract: mineral scaling in oil and gas production equipment is one of the most important problem that occurs while water injection and it has been recognized to be a major operational problem. the incompatibility between injected and formation waters may result in inorganic scale precipitation in the equipment and reservoir and then reduction of oil production rate and water injection rate. ...
Prediction of melting points of a diverse chemical set using fuzzy regression tree
The classification and regression trees (CART) possess the advantage of being able to handlelarge data sets and yield readily interpretable models. In spite to these advantages, they are alsorecognized as highly unstable classifiers with respect to minor perturbations in the training data.In the other words methods present high variance. Fuzzy logic brings in an improvement in theseaspects due ...
متن کاملPurity and Identification of Solids Using Melting Points
Class-obtained melting points were used to create a melting point diagram of naphthalene and biphenyl. The eutectic point was estimated by extrapolation to be at 45 mole percent naphthalene. Unknown “A” was determined to be benzophenone by mixed melting point method. Introduction Melting points are used to help determine the purity and identification of solids. A melting point is the temperatur...
متن کاملComparison of the Melting Temperatures of Classical and Quantum Water Potential Models
As theoretical approaches and technical methods improve over time, the field of computer simulations for water has greatly progressed. Water potential models become muchmore complex when additional interactions and advanced theories are considered. Macroscopic properties of water predicted by computer simulations using water potential models are expected to be consistent with experimental outco...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: ACS Omega
سال: 2020
ISSN: 2470-1343,2470-1343
DOI: 10.1021/acsomega.0c02638