Examining the Accuracy of Ideal Adsorbed Solution Theory without Curve-Fitting Using Transition Matrix Monte Carlo Simulations

Langmuir ◽  
2007 ◽  
Vol 23 (11) ◽  
pp. 6431-6437 ◽  
Author(s):  
Haibin Chen ◽  
David S. Sholl
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Curve Fitting ◽  
Transition Matrix ◽  
Solution Theory ◽  
Ideal Adsorbed Solution Theory ◽  
Adsorbed Solution ◽  
Adsorbed Solution Theory

scholarly journals Adsorption for efficient low carbon hydrogen production: part 2—Cyclic experiments and model predictions

Adsorption ◽  
2021 ◽  
Author(s):  
Anne Streb ◽  
Marco Mazzotti
Keyword(s):  
Hydrogen Production ◽  
Carbon Capture And Storage ◽  
Clean Energy ◽  
Separation Performance ◽  
Low Carbon ◽  
Solution Theory ◽  
Feed Composition ◽  
Ideal Adsorbed Solution Theory ◽  
Adsorbed Solution ◽  
Adsorbed Solution Theory

Abstract Hydrogen as clean energy carrier is expected to play a key role in future low-carbon energy systems. In this paper, we demonstrate a new technology for coupling fossil-fuel based hydrogen production with carbon capture and storage (CCS): the integration of CO2 capture and H2 purification in a single vacuum pressure swing adsorption (VPSA) cycle. An eight step VPSA cycle is tested in a two-column lab-pilot for a ternary CO2–H2–CH4 stream representative of shifted steam methane reformer (SMR) syngas, while using commercial zeolite 13X as adsorbent. The cycle can co-purify CO2 and H2, thus reaching H2 purities up to 99.96%, CO2 purities up to 98.9%, CO2 recoveries up to 94.3% and H2 recoveries up to 81%. The key decision variables for adjusting the separation performance to reach the required targets are the heavy purge (HP) duration, the feed duration, the evacuation pressure and the flow rate of the light purge (LP). In contrast to that, the separation performance is rather insensitive towards small changes in feed composition and in HP inlet composition. Comparing the experimental results with simulation results shows that the model for describing multi-component adsorption is critical in determining the predictive capabilities of the column model. Here, the real adsorbed solution theory (RAST) is necessary to describe all experiments well, whereas neither extended isotherms nor the ideal adsorbed solution theory (IAST) can reproduce all effects observed experimentally.

scholarly journals Effective Separation of Prime Olefins from Gas Stream Using Anion Pillared Metal Organic Frameworks: Ideal Adsorbed Solution Theory Studies, Cyclic Application and Stability

Catalysts ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 510
Author(s):  
Majeda Khraisheh ◽  
Fares. Almomani ◽  
Gavin Walker
Keyword(s):  
Breakthrough Curves ◽  
Isotherm Models ◽  
Regeneration Ability ◽  
Solution Theory ◽  
Experimental Conditions ◽  
Ideal Adsorbed Solution Theory ◽  
Adsorbed Solution ◽  
The Stability ◽  
Adsorption Desorption ◽  
Adsorbed Solution Theory

The separation of C3H4/C3H6 is one of the most energy intensive and challenging operations, requiring up to 100 theoretical stages, in traditional cryogenic distillation. In this investigation, the potential application of two MOFs (SIFSIX-3-Ni and NbOFFIVE-1-Ni) was tested by studying the adsorption–desorption behaviors at a range of operational temperatures (300–360 K) and pressures (1–100 kPa). Dynamic adsorption breakthrough tests were conducted and the stability and regeneration ability of the MOFs were established after eight consecutive cycles. In order to establish the engineering key parameters, the experimental data were fitted to four isotherm models (Langmuir, Freundlich, Sips and Toth) in addition to the estimation of the thermodynamic properties such as the isosteric heats of adsorption. The selectivity of the separation was tested by applying ideal adsorbed solution theory (IAST). The results revealed that SIFSIX-3-Ni is an effective adsorbent for the separation of 10/90 v/v C3H4/C3H6 under the range of experimental conditions used in this study. The maximum adsorption reported for the same combination was 3.2 mmolg−1. Breakthrough curves confirmed the suitability of this material for the separation with a 10-min gab before the lighter C3H4 is eluted from the column. The separated C3H6 was obtained with a 99.98% purity.

scholarly journals Robust algorithms for the solution of the ideal adsorbed solution theory equations

AIChE Journal ◽  
2014 ◽  
Vol 61 (3) ◽  
pp. 981-991 ◽  
Author(s):  
Enzo Mangano ◽  
Daniel Friedrich ◽  
Stefano Brandani
Keyword(s):  
Solution Theory ◽  
Robust Algorithms ◽  
Ideal Adsorbed Solution Theory ◽  
Adsorbed Solution ◽  
The Ideal ◽  
Adsorbed Solution Theory

Numerical Integral in the Ideal Adsorbed Solution Theory

2011 ◽  
Vol 396-398 ◽  
pp. 1809-1812
Author(s):  
Quan Li Feng ◽  
Ming Lei Lian ◽  
Xue Qian Wang ◽  
Ping Ning
Keyword(s):  
Experimental Data ◽  
Numerical Calculation ◽  
Numerical Integration ◽  
Pure Component ◽  
Single Component ◽  
Solution Theory ◽  
Ideal Adsorbed Solution Theory ◽  
Adsorbed Solution ◽  
The Ideal ◽  
Adsorbed Solution Theory

The ideal adsorbed solution (IAS) theory has an advantage that no restriction exists for the type of pure component isotherm. One can choose the isotherm that fits the experimental data best. However, the theory requires a lot of numerical calculation, including numerical integration. This study shows that IAS needs very accurate values of numerical integration when the D-R equation is used as a single component isotherm. The error of numerical integration should be set to be no larger than 10-7. Otherwise the error of numerical calculation will occur, which may increase prediction deviation.

Sign in / Sign up

Export Citation Format

Share Document