Results 41 to 50 of about 404 (171)

A modified UNIQUAC equation for mixtures containing self-associating compounds [PDF]

Brazilian Journal of Chemical Engineering, 2005
The UNIQUAC model for the excess Gibbs energy is modified using chemical theory to account for chain-like association occurring in self-associating compounds such as alcohols. The equation considers the alcohol to be a mixture of clusters in chemical equilibrium.
Pessôa Filho, P. A., Mohamed, R. S., Maurer, G.   +2 more
openaire   +3 more sources

An empirical modification on UNIQUAC model for vapor-liquid equilibrium of refrigerant/ionic liquid mixtures

Chemical Thermodynamics and Thermal Analysis
The vapor-liquid equilibrium (VLE) of refrigerant with ionic liquid (IL) is crucial for different applications, such as extractive distillation separation of refrigerant blends.
Yunqian Zhang, Baoli Sang, Xiaopo Wang
doaj   +1 more source

Predicting Liquid Organic Hydrogen Carrier Saturation in Dehydrogenation Cell Gas Diffusion Layers for Hydrogen Storage

ChemCatChem, Volume 17, Issue 16, August 18, 2025.
The influence of gas diffusion layer (GDL) microstructures on mass transport and methylcyclohexane saturation (MCH) in a dehydrogenation cell was investigated using pore network modeling. We reveal that GDLs with larger pore diameters (dpore) and lower tortuosity (τ) enable enhanced MCH invasion, thereby improving reactant concentration at the catalyst.
Aida Farsi, Lijun Zhu, Tess Seip, Aimy Bazylak   +3 more
wiley   +1 more source

Separation of benzene from cyclohexane by liquid-liquid extraction for a pseudo-ternary system with (sulfolane + 2-propanol) solvent: An experimental and modeling study

Results in Engineering
Since the condensation temperatures of Cyclohexane and Benzene are close, the distillation process is useless for extraction, and it must be done with the help of a solvent. Sulfolane is widely used as a solvent for extracting aromatic hydrocarbons.
Seyed Mohammad Reza Seyedein Ghannad, Mohammad Reza Gharib, Ali Heydari   +2 more
doaj   +1 more source

Thermodynamic Modeling of Aqueous Amine‐Electrolyte Solvents for CO2 Absorption

Greenhouse Gases: Science and Technology, Volume 15, Issue 3, Page 381-393, June 2025.
ABSTRACT The coupling process of carbon capture and utilization technology (CCU) that is gaining a lot of interest is called integrated CO2 capture–conversion (ICCC) where it is a part of the technological advancement aligning to one of the Sustainable Development Goals (SDGs) domains, which is SDG 13 (climate action).
Jun Hui Law, Aisyah Ilyani Ismail, Graham Leverick, Elizabeth M. Bernhardt, Azlan Mohd. Kassim, Farihahusnah Hussin, Betar M. Gallant, Mohamed Kheireddine Aroua   +7 more
wiley   +1 more source

Limits on the prediction of isobaric quinary phase equilibria by Wilson and UNIQUAC equations

Communications, Faculty Of Science, University of Ankara Series B Chemistry and Chemical Engineering, 1995
The isobaric separation of multicomponent mixtures by distillation require reliable vapour¬liquid equilibrium data. Since the experimental determination of multicomponent vapour-liqu¬id equilibrium data is laborious and time consuming, there is a need to use a predictive method for the liquid-phase activity coefficients.
Bülent EDİZ, Alper ÖZALP, Ülkü ÖZALP   +2 more
openaire   +2 more sources

Additives in Biphasic Hydroformylation: An Analysis of the Influence of the Interfacial Area

Chemie Ingenieur Technik, Volume 97, Issue 5, Page 378-394, May 2025.
Optimizing homogeneous biphasic hydroformylation offers significant potential for improving chemical efficiency by use of additives or by investigating different stirrer and reactor designs. Traditionally, efforts have focused on conversion rates and selectivity, but advanced techniques such as high‐pressure borescopy now allow detailed in‐situ ...
Frederike S. Heinen, Jeroen T. Vossen, Andreas J. Vorholt   +2 more
wiley   +1 more source

Simultaneous optimization of simulated moving bed adsorption and distillation for 2,3‐butanediol recovery

AIChE Journal, Volume 71, Issue 2, February 2025.
Abstract A combined simulated moving bed (SMB) and distillation separation scheme is developed to recover 2,3‐butanediol (BDO) from a dilute fermentation broth. The scheme was integrated into a lignocellulosic biorefinery that produces hydrocarbon fuels from corn stover with BDO as an intermediate.
Marco Avendano, Qiang Fu, Jianpei Lao, Sankar Nair, Matthew J. Realff   +4 more
wiley   +1 more source

Experimental determination and prediction of solid-liquid phase equilibria for binary (N-(2-acetoxyethyl)-p-nitroaniline (1) + N-ethyle-4-nitroaniline (2)) mixture

MATEC Web of Conferences, 2013
The nitrocellulose based materials are degraded in a natural way during their storage; the processes of degradation are accelerated when the temperature or the humidity increases.
Trache D., Khimeche K., Benelmir R.
doaj   +1 more source

A reinforcement learning approach with masked agents for chemical process flowsheet design

AIChE Journal, Volume 71, Issue 1, January 2025.
Abstract This study introduces two novel Reinforcement Learning (RL) agents for the design and optimization of chemical process flowsheets (CPFs): a discrete masked Proximal Policy Optimization (mPPO) and a hybrid masked Proximal Policy Optimization (mHPPO).
Simone Reynoso‐Donzelli, Luis Alberto Ricardez‐Sandoval   +1 more
wiley   +1 more source