Designing a simple volumetric apparatus for measuring gas adsorption equilibria and kinetics of sorption. Application and validation for CO2, CH4 and N2 adsorption in binder-free beads of 4A zeolite

Karimi, Mohsen; Rodrigues, Alírio E.; Silva, José A.C.

doi:10.1016/j.cej.2021.130538

Cited by 50 publications

(35 citation statements)

References 51 publications

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“…Some of these techniques also enable studying multicomponent systems. 30,32,38,53,54 Driven by this momentum, we have developed the material characterization pipeline presented in this work to use less than 100 mg of a given adsorbent to obtain both the textural and adsorption properties.…”

Section: Contextualization and Contributionsmentioning

confidence: 99%

“…These can include both volumetric and gravimetric techniques, that require tracking the uptake of adsorbate over time in a closed system. [29][30][31][32] These techniques are often slow, even for pure component equilibrium measurements (up to 2-3 days to obtain a single isotherm), making them unsuitable for rapid adsorbent characterization. The second approach, referred to as a dynamic column breakthrough (DCB) technique, involves performing dynamic gas sorption experiments in a purpose-built adsorption column with a few grams to kilograms of the sample.…”

Section: Introductionmentioning

confidence: 99%

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Simultaneous Estimation of Gas Adsorption Equilibria and Kinetics of Individual Shaped Adsorbents

Azzan

Rajagopalan

L’Hermitte

et al. 2022

Preprint

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Shaped adsorbents are typically employed in several gas separation and sensing applications. The performance of these adsorbents is dictated by two key factors, their adsorption equilibrium capacity and kinetics. Often, adsorption equilibrium and textural properties are reported for materials. Adsorption kinetics, despite its impact on performance in a given application, are seldom presented due to the challenges associated with measuring them. Therefore, robust and practical experimental approaches -- preferably using small quantities of material -- to characterize both the adsorption equilibrium and kinetics for shaped adsorbents is necessary. The overarching goal of this work is to develop an approach to characterize the adsorption properties of shaped adsorbents with less than 100 mg of sample. To this aim, we have developed an experimental dynamic sorption setup, complemented with mathematical models, to describe the mass transport in the system. We embed these models into a derivative-free optimizer to predict model parameters for adsorption equilibrium and kinetics. We evaluate the performance of our approach using three adsorbents. Further, we test the robustness of our mathematical framework using a digital twin. We show that framework can rapidly and quantitatively characterize adsorption properties at a milligram scale, making it suited for screening of novel porous materials.

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Section: Contextualization and Contributionsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Simultaneous Estimation of Gas Adsorption Equilibria and Kinetics of Individual Shaped Adsorbents

Azzan

Rajagopalan

L’Hermitte

et al. 2022

Preprint

View full text Add to dashboard Cite

show abstract

“…The escalating level of greenhouse gases (GHGs), including carbon dioxide (CO 2 ), methane (CH 4 ), nitrogen (N 2 ), carbon monoxide (CO), and chlorofluorocarbons (CFCs) originated from anthropogenic activities resulted in severe global challenges such as warming. [1][2][3] On the other hand, the exponential population expansion and a spicy modernization growth intensified fossil fuel consumption in the last decades. [4][5][6] Fossil fuel combustion and related industries [7][8][9] are responsible for 65%-80% of total CO 2 emission in the atmosphere.…”

Section: Introductionmentioning

confidence: 99%

Determination of the heat capacity of cellulosic biosamples employing diverse machine learning approaches

Karimi

Khosravi

Fathollahi

et al. 2022

Energy Science & Engineering

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Heat capacity is among the most well‐known thermal properties of cellulosic biomass samples. This study assembles a general machine learning model to estimate the heat capacity of the cellulosic biomass samples with different origins. Combining the uncertainty and ranking analyses over 819 artificial intelligence models from seven different categories confirmed that the least‐squares support vector regression (LSSVR) with the Gaussian kernel function is the best estimator. This model is validated using 700 laboratory heat capacities of four cellulosic biomass samples in wide temperature ranges (absolute average relative deviation = 0.32%, mean square errors = 1.88 × 10−3, and R2 = 0.999991). The data validity investigation approved that only one out of 700 experimental data is an outlier. The LSSVR model considers the effect of the cellulosic samples' crystallinity, temperature, and sulfur and ash content on their heat capacity. The overall prediction accuracy of the LSSVR is more than 62% better than the achieved accuracy using the empirical correlation.

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“…Nowadays, CO 2 adsorption studies based on amine functional groups have been intensively and extensively performed. Various materials with a high specific surface area such as zeolite [9][10][11], activated carbon [12][13][14][15], metal-organic frameworks (MOFs) [16][17][18][19], and porous silica [20][21][22][23] have been demonstrated. When an amine functional group meets carbon dioxide gas in the presence of moisture, a carbamate salt and a hydrogen carbonate salt are formed.…”

Section: Introductionmentioning

confidence: 99%

Facile Synthesis of Mesoporous Silica at Room Temperature for CO2 Adsorption

et al. 2022

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Although mesoporous silica materials have been widely investigated for many applications, most silica materials are made by calcination processes. We successfully developed a convenient method to synthesize mesoporous materials at room temperature. Although the silica materials made by the two different methods, which are the calcination process and the room-temperature process, have similar specific surface areas, the silica materials produced with the room-temperature process have a significantly larger pore volume. This larger pore volume has the potential to attach to functional groups that can be applied to various industrial fields such as CO2 adsorption. This mesoporous silica with a larger pore volume was analyzed by TEM, FT-IR, low angle X-ray diffraction, N2-adsorption analysis, and CO2 adsorption experiments in comparison with the mesoporous silica synthesized with the traditional calcination method.

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Designing a simple volumetric apparatus for measuring gas adsorption equilibria and kinetics of sorption. Application and validation for CO2, CH4 and N2 adsorption in binder-free beads of 4A zeolite

Cited by 50 publications

References 51 publications

Simultaneous Estimation of Gas Adsorption Equilibria and Kinetics of Individual Shaped Adsorbents

Simultaneous Estimation of Gas Adsorption Equilibria and Kinetics of Individual Shaped Adsorbents

Determination of the heat capacity of cellulosic biosamples employing diverse machine learning approaches

Facile Synthesis of Mesoporous Silica at Room Temperature for CO2 Adsorption

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