Results 71 to 80 of about 387 (144)

Solids Modelling and Capture Simulation of Piperazine in Potassium Solvents

, 2012
Piperazine is an amine which is used both as an activator or promoter, but also as active component in CO2 capture solvents. High concentrations are being formulated to draw benefit of the PZ properties.
Maribo-Mogensen, Bjørn, Fosbøl, Philip Loldrup, Thomsen, Kaj   +2 more
core   +1 more source

Thermodynamic Modeling of Salting Effects in Solvent Extraction of Cobalt(II) from Chloride Media by the Basic Extractant Methyltrioctylammonium Chloride. [PDF]

ACS Omega, 2021
Lommelen R, Binnemans K.
europepmc   +1 more source

From molecular to macroscopic: predicting liquid-liquid phase equilibria and small-angle scattering of mixtures of organic liquids from atomistic simulation using Kirkwood-Buff theory. [PDF]

Chem Sci
Peroutka AA, Stephenson GB, Servis MJ.
europepmc   +1 more source

Modeling of Salt Solubilities in Mixed Solvents

, 2000
A method to correlate and predict salt solubilities in mixed solvents using a UNIQUAC+Debye-Huckel model is developed. The UNIQUAC equation is applied in a form with temperature-dependent parameters.
Rasmussen, Peter, Chiavone-Filho, O., Rasmussen, P., Chiavone Filho, O.   +3 more
core  

Experimental investigation and thermodynamic correlation of chlordiazepoxide solubility in supercritical CO₂. [PDF]

Sci Rep
Saadati Ardestani N, Noubigh A, Esfandiari N, Sajadian SA, Estévez LA.   +4 more
europepmc   +1 more source

Evolution of the Study of Phase Diagram of Binary and Ternary Mixtures Involving Fatty Acid Esters. [PDF]

Materials (Basel), 2021
Rubio-Pérez G, Muñoz-Rujas N, Aguilar F, Ravotti R, Müller L, Montero E.   +5 more
europepmc   +1 more source

Development and evaluation of an effective solubility prediction model for pharmaceuticals in organic solvents using machine learning based on eXtreme Gradient Boosting. [PDF]

Sci Rep
Valavi M, Assareh M, Khoshsima A, Svärd M.   +3 more
europepmc   +1 more source

Thermodynamically consistent machine learning model for excess Gibbs energy. [PDF]

Nat Commun
Hoffmann M, Specht T, Göttl Q, Burger J, Mandt S, Hasse H, Jirasek F.   +6 more
europepmc   +1 more source

Experimental solubility of aripiprazole in supercritical carbon dioxide and modeling. [PDF]

Sci Rep, 2023
Ansari E, Honarvar B, Sajadian SA, Aboosadi ZA, Azizi M.   +4 more
europepmc   +1 more source

Modeling the Phase Equilibrium Behavior of Gas Hydrates by the Thermodynamic Model

, 2013
本研究建立一理論計算模型包含 van der Waals and Platteuw model (vdWP) 和 Peng-Robinson-Stryjek-Vera Equation of State (PRSV EoS)，並將之應用於計算單一氣體水合物(甲烷、乙烷、丙烷、二氧化碳及氮氣)之相平衡行為，並可進一步預測單一氣體水合物添加抑制劑(甲醇、乙醇、乙二醇、二甘醇及丙三醇)及混合氣體水合物系統之相平衡行為。在此模型中，PRSV EoS搭配van der Waals (vdW)及modified ...
葉彥廷, Yeh, Yen-Ting
core