Bottled SAFT: A Web App Providing SAFT-γ Mie Force Field Parameters for Thousands of Molecular Fluids
نویسندگان
چکیده
منابع مشابه
Application of Crossover Theory to the SAFT-VR Equation of State: SAFT-VRX for Pure Fluids
The molecular-based SAFT equation of state has proven to be very versatile in the prediction of fluid phase equilibria. However, in common with all analytic equations of state, SAFT exhibits classical behavior in the critical region rather than the nonanalytical, singular behavior seen in real fluids. As a result, accurate agreement over the whole phase diagram cannot be obtained and must be lo...
متن کاملSAFT Associating Fluids and Fluid Mixtures
While we could argue that the goals of modelling fluid phase equilibria have not changed greatly since the time of van der Waals, there is little doubt that the systems of interest have gradually increased in complexity; surfactants, polymers, hydrogen-bonding molecules such as water, and polyfunctional molecules such as amino acids and peptides are now routinely considered. The demand for effe...
متن کاملPerformance of Ultrasonic Imaging with Frequency Domain Saft (f-saft)
The time and Fourier domain Synthetic Aperture Focusing Technique (SAFT and FSAFT) have been used to improve both sensitivity and lateral resolution of ultrasonic NDT. Following acquisition of signals over the surface of the tested piece, SAFT identifies a defect by summing all the signals within a certain area (the aperture) after giving proper time-delays. FSAFT, although using the same data,...
متن کاملApplication of Simulated Annealing Technique to Non-Linear Optimization of PC-SAFT for Petroleum Reservoir Fluids
Equations of state should be tuned to reservoir conditions by PVT tests for phase behavior modeling. This tuning is achievable via an optimization method. In this work, simulated annealing algorithm is applied as a global optimization method to parameter optimization for PC-SAFT from the statistical associating fluid theory incorporating hard chain as reference fluid. The optimization parameter...
متن کاملA crossover SAFT-VR equation of state for pure fluids: preliminary results for light hydrocarbons
SAFT is perhaps the most versatile, fundamentally, based engineering equation of state in use today. However, in common with all analytic equations of state, SAFT exhibits classical behavior in the critical region rather than the non-analytical, singular behavior seen in real fluids. Recently, so-called crossover equations of state have been developed which solve this shortcoming by incorporati...
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: Journal of Chemical Information and Modeling
سال: 2016
ISSN: 1549-9596,1549-960X
DOI: 10.1021/acs.jcim.6b00149