Predicting overall mass transfer coefficients of CO2 capture into monoethanolamine in spray columns with hybrid machine learning

Enhancing CO2 Absorption with Compact Multiflow Absorber: Evaluation of Operational Factors

“…Postcombustion capture technology is presently a widely utilized and mature technology. Various methods of postcombustion CO 2 capture, such as physicochemical adsorption, membrane separation, cryogenics, chemical looping combustion, and biosequestration, have been explored. Among these, amine-based chemical absorption is currently the most commercially promising CO 2 capture method because of its high purity of separation, high capture rate, and wide range of applications .…”

Gibbs–Duhem-informed neural networks for binary activity coefficient prediction

“…25 Developing hybrid ML structures following thermodynamic models such as Wilson 25 or nonrandom two-liquid (NRTL) 26 was further investigated in ref. 22, 27–29. A recent prominent example covering a diverse mixture spectrum is the sequential hybrid ML model by Winter et al , 18 who combined a transformer with the NRTL model 26 ( i.e.…”

HybridGamma: A thermodynamically consistent framework for hybrid modelling of activity coefficients

“…Recently, ML techniques have shown significant potential in chemical engineering [27] especially in scenarios where process parameters are hard to estimate using first-principle modeling [28][29][30][31]. Such methods utilize experimental data and a statistical function structure (e.g., polynomial, rational functions, and artificial neural networks) to approximate the underlying function by characterizing the described quantity of interest while simultaneously creating an internal map of the relation between the input and the described quantity.…”

“…By doing so, the required data variety and volume are drastically reduced. This modeling approach has been used in several fields of chemical engineering, including reaction kinetics estimation [35,36], separations [29,37] and overall optimization [38]. Despite the wide application of hybrid modeling in process systems engineering for chemical applications, to our best knowledge, the literature lacks papers and methodologies where hybrid modeling is applied to estimate the interactions between molecules for systems with uncertainty over the interactions between the molecules and their nature.…”