Porosity Effect of Polystyrene Membranes on Desalination Performance: A Combined Experimental and Numerical Heat and Mass Transfer Study in Direct Contact Membrane Distillation.

Membrane distillation (MD) is a thermal-based membrane operation with high potential for use in the treatment of aqueous streams. In this study, the linear relationship between the permeate flux and the bulk feed temperature for different electrospun polystyrene membranes is discussed. The dynamics of combined heat and mass transfer mechanisms across different membrane porosities of 77%, 89%, and 94%, each with different thicknesses, are examined. The main results for the effect of porosity with respect to the thermal efficiency and evaporation efficiency of the DCMD system are reported for electrospun polystyrene membranes. A 14.6% increase in thermal efficiency was noted for a 15% increase in membrane porosity. Meanwhile, a 15.6% rise in porosity resulted in a 5% increase in evaporation efficiency. A mathematical validation along with computational predictions is presented and interlinked with the maximum thermal and evaporation efficiencies for the surface membrane temperatures at the feed and temperature boundary regions. This work helps to further understand the interlinked correlations of the surface membrane temperatures at the feed and temperature boundary regions with respect to the change in membrane porosity.

Synthesis of nanostructured novel ion-imprinted polymer for selective removal of Cu2+ and Sr2+ ions from reverse osmosis concentrated brine.

This study aims to prepare an ion-imprinted polymer (IIP) using copper sulfate as a template and potassium persulfate as an initiator to selectively adsorb copper ions (Cu2+) from aqueous solutions and in an attempt to also test its applicability for removing strontium ions (Sr2+). The prepared polymer was denoted by IIP-Cu. Various physical and chemical characterizations were performed for the prepared IIP-Cu. The scanning electron microscopy and transmission electron microscopy analyses confirmed the cavities formed after the removal of the template. It also indicated that the IIP-Cu had a rough and porous topology. The X-ray photoelectron spectroscopy confirmed the successful removal of the Cu template from IIP-Cu. The Brunauer-Emmet-Teller revealed that the surface area of IIP-Cu is as high as 152.3 m2/g while the pore radius is 8.51 nm. The effect of pH indicated that the maximum adsorption of Cu2+ was achieved at pH 8 with 98.7%. Isotherm studies revealed that the adsorption of Cu2+ was best explained using Langmuir models with a maximum adsorption capacity of 159 mg/g. The effect of temperature revealed that an increase in temperature had an adverse impact on Cu2+ removal from the aqueous solution, which was further confirmed by thermodynamic studies. The negative value of standard enthalpy change (-4.641 kJ/mol) revealed that the adsorption of Cu2+ onto IIP-Cu was exothermic. While the continuous increase in Gibbs free energy from -6776 kJ/mol to -8385 kJ/mol with the increase in temperature indicated that the adsorption process was spontaneous and feasible. Lastly, the positive value of the standard entropy change (0.023 J/mol.K) suggested that the Cu2+ adsorption onto IIP-Cu had a good affinity at the solid-liquid surface. The efficiency of the prepared IIP-Cu was also tested by studying the adsorption capacity using Sr2+ and real brine water. The results revealed that IIP-Cu was able to remove 63.57% of Sr2+ at pH 8. While the adsorption studies revealed that the experiment was best described using the Langmuir model with a maximum adsorption capacity of 76.92 mg/g. Additionally, IIP-Cu was applied in a real brine sample, which consisted of various metal ions. The highest percentage of Cu2+ removal was 90.6% and the lowest was 65.63% in 1:4 and 1:1 brine ratios, respectively. However, this study indicates the successful application of IIP-Cu in a real sample when it comes to the effective and efficient removal of Cu2+ in a solution consisting of various competing ions.

Spectral and Structural Properties of High-Quality Reduced Graphene Oxide Produced via a Simple Approach Using Tetraethylenepentamine.

A simple temperature-assisted solution interaction technique was used to functionalize and reduce graphene oxide (GO) using tetraethylenepentamine (TEPA) with less chemicals, low temperature, and without using other reducing agents. GO nanosheets, produced using a modified Hummers' method, were functionalized using two different GO:TEPA ratios (1:5 and 1:10). The reduction of GO was evaluated and confirmed by different spectroscopic and microscopic techniques. The FTIR and XPS spectra revealed that most of the oxygenated groups of GO were reduced. The emergence of amide groups in the XPS survey of the rGO-TEPA samples confirmed the successful reaction of TEPA with the carboxyl groups on the edges of GO. The replacement of the oxygenated groups increased the carbon/oxygen (C/O) ratio of GO by approximately 60%, suggesting a good reduction degree. It was found that the I2D/ID+D' ratio and the relative intensity of the D″ band clearly increased after the reduction reaction, suggesting that these bands are good estimators for the reduction degree of GO. The morphological structure of GO was also affected by the reaction with TEPA, which was confirmed by SEM and TEM images. The TEM images showed that the transparent GO sheets became denser and opaque after functionalization with TEPA, indicating an increase in the stacking level of the GO sheets. This was further confirmed by the XRD analysis, which showed a clear decrease in the d-spacing, caused by the removal of oxygenated groups during the reduction reaction.

Long-Term Treatment of Highly Saline Brine in a Direct Contact Membrane Distillation (DCMD) Pilot Unit Using Polyethylene Membranes.

Membrane distillation (MD) is an attractive separation process for wastewater treatment and desalination. There are continuing challenges in implementing MD technologies at a large industrial scale. This work attempts to investigate the desalination performance of a pilot-scale direct contact membrane distillation (DCMD) system using synthetic thermal brine mimicking industrial wastewater in the Gulf Cooperation Council (GCC). A commercial polyethylene membrane was used in all tests in the DCMD pilot unit. Long-term performance exhibited up to 95.6% salt rejection rates using highly saline feed (75,500 ppm) and 98% using moderate saline feed (25,200 ppm). The results include the characterization of the membrane surface evolution during the tests, the fouling determination, and the assessment of the energy consumption. The fouling effect of the polyethylene membrane was studied using Humic acid (HA) as the feed for the whole DCMD pilot unit. An optimum specific thermal energy consumption (STEC) reduction of 10% was achieved with a high flux recovery ratio of 95% after 100 h of DCMD pilot operation. At fixed operating conditions for feed inlet temperature of 70 °C, a distillate inlet temperature of 20 °C, with flowrates of 70 l/h for both streams, the correlations were as high as 0.919 between the pure water flux and water contact angle, and 0.963 between the pure water flux and salt rejection, respectively. The current pilot unit study provides better insight into existing thermal desalination plants with an emphasis on specific energy consumption (SEC). The results of this study may pave the way for the commercialization of such filtration technology at a larger scale in global communities.

Synthesis of Porous BPPO-Based Anion Exchange Membranes for Acid Recovery via Diffusion Dialysis.

Diffusion dialysis (DD) is an anion exchange membrane-based functional separation process used for acid recovery. TMA (trimethylamine) and BPPO (brominated poly(2,6-dimethyl-1,4-phenylene oxide) were utilized in this manuscript to formulate AEMs (anion exchange membranes) for DD (diffusion dialysis) using the phase-inversion technique. FTIR (Fourier transfer infrared) analysis, proton NMR spectroscopy, morphology, IEC (ion exchange capacity), LER (linear expansion ratio), CR (fixed group concentration), WR (water uptake/adsorption), water contact angle, chemical, and thermal stability, were all used to evaluate the prepared membranes. The effect of TMA content within the membrane matrix on acid recovery was also briefly discussed. It was reported that porous AEMs have a WR of 149.6% to 233.8%, IEC (ion exchange capacity) of 0.71 to 1.43 mmol/g, CR (fixed group concentration) that ranged from 0.0046 mol/L to 0.0056 mol/L, LER of 3.88% to 9.23%, and a water contact angle of 33.10° to 78.58°. The UH (acid dialysis coefficients) for designed porous membranes were found to be 0.0043 to 0.012 m/h, with separation factors (S) ranging from 13.14 to 32.87 at the temperature of 25 °C. These observations are comparable to those found in the DF-120B commercial membrane with UH of 0.004 m/h and S of 24.3 m/h at the same temperature (25 °C). This porous membranes proposed in this paper are excellent choices for acid recovery through the diffusion dialysis process.

Recent Progress on Nanomaterial-Based Membranes for Water Treatment.

Nanomaterials have emerged as the new future generation materials for high-performance water treatment membranes with potential for solving the worldwide water pollution issue. The incorporation of nanomaterials in membranes increases water permeability, mechanical strength, separation efficiency, and reduces fouling of the membrane. Thus, the nanomaterials pave a new pathway for ultra-fast and extremely selective water purification membranes. Membrane enhancements after the inclusion of many nanomaterials, including nanoparticles (NPs), two-dimensional (2-D) layer materials, nanofibers, nanosheets, and other nanocomposite structural materials, are discussed in this review. Furthermore, the applications of these membranes with nanomaterials in water treatment applications, that are vast in number, are highlighted. The goal is to demonstrate the significance of nanomaterials in the membrane industry for water treatment applications. It was found that nanomaterials and nanotechnology offer great potential for the advancement of sustainable water and wastewater treatment.

Membrane Surface Modification and Functionalization.

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Innovative BPPO Anion Exchange Membranes Formulation Using Diffusion Dialysis-Enhanced Acid Regeneration System.

Recycling of acid from aqueous waste streams is crucial not only from the environmental point of view but also for maturing the feasible method (diffusion dialysis). Anion exchange membrane (AEM)-based diffusion dialysis process is one of the beneficial ways to recover acid from aqueous waste streams. In this article, the synthesis of a series of brominated poly (2, 6-dimethyl-1, 4-phenylene oxide) (BPPO)-based anion exchange membranes (AEMs) through quaternization with triphenylphosphine (TPP) were reported for acid recovery via diffusion dialysis process. The successful synthesis of the prepared membranes was confirmed by Fourier transform infrared (FTIR) spectroscopy. The as-synthesized anion exchange membranes represented water uptake (WR) of 44 to 66%, ion exchange capacity of (IEC) of 1.22 to 1.86 mmol/g, and linear swelling ratio (LSR) of 8 to 20%. They exhibited excellent thermal, mechanical, and acid stability. They showed homogeneous morphology. The acid recovery performance of the synthesized AEMs was investigated in a two compartment stack using simulated mixture of HCl and FeCl2 as feed solution at room temperature. For the synthesized anion exchange membranes TPP-43 to TPP-100, the diffusion dialysis coefficient of acid (UH+) was in the range of 6.7 to 26.3 (10-3 m/h) whereas separation factor (S) was in the range of 27 to 49 at 25 °C. Obtained results revealed that diffusion dialysis performance of the synthesized AEMs was higher than the commercial membrane DF-120B (UH+ = 0.004 m/h, S = 24.3) at room temperature. It showed that the prepared AEMs here could be excellent candidates for the diffusion dialysis process.

Influence of Casting Solvents on CO2/CH4 Separation Using Polysulfone Membranes.

Polysulfone membranes exhibit resistance to high temperature with low manufacturing cost and high efficiency in the separation process. The composition of gases is an important step that estimates the efficiency of separation in membranes. As membrane types are currently becoming in demand for CO2/CH4 segregation, polysulfone will be an advantageous alternative to have in further studies. Therefore, research is undertaken in this study to evaluate two solvents: chloroform (CF) and tetrahydrofuran (THF). These solvents are tested for casting polymeric membranes from polysulfone (PSF) to separate every single component from a binary gas mixture of CO2/CH4. In addition, the effect of gas pressure was conducted from 1 to 10 bar on the behavior of the permeability and selectivity. The results refer to the fact that the maximum permeability of CO2 and CH4 for THF is 62.32 and 2.06 barrer at 1 and 2 bars, respectively. Further, the maximum permeability of CF is 57.59 and 2.12 barrer at 1 and 2 bars, respectively. The outcome selectivity values are 48 and 36 for THF and CF at 1 bar, accordingly. Furthermore, the study declares that with the increase in pressure, the permeability and selectivity values drop for CF and THF. The performance for polysulfone (PSF) membrane that is manufactured with THF is superior to that of CF relative to the Robeson upper bound. Therefore, through the results, it can be deduced that the solvent during in-situ synthesis has a significant influence on the gas separation of a binary mixture of CO2/CH4.

Higher Acid Recovery Efficiency of Novel Functionalized Inorganic/Organic Composite Anion Exchange Membranes from Acidic Wastewater.

In this work, the synthesis of a series of the functionalized inorganic/organic composite anion exchange membranes (AEMs) was carried out by employing the varying amount of inorganic filler consist of N-(trimethoxysilylpropyl)-N,N,N-trimethylammonium chloride (TMSP-TMA+Cl-) into the quaternized poly (2, 6-dimethyl-1, 4-phenylene oxide) (QPPO) matrix for acid recovery via diffusion dialysis (DD) process. Fourier transform infrared (FTIR) spectroscopy clearly demonstrated the fabrication of the functionalized inorganic/organic composite AEMs and the subsequent membrane characteristic measurements such as ion exchange capacity (IEC), linear swelling ratio (LSR), and water uptake (WR) gave us the optimum loading condition of the filler without undesirable filler particle aggregation. These composite AEMs exhibited IEC of 2.18 to 2.29 meq/g, LSR of 13.33 to 18.52%, and WR of 46.11 to 81.66% with sufficient thermal, chemical, and mechanical stability. The diffusion dialysis (DD) test for acid recovery from artificial acid wastewater of HCl/FeCl2 showed high acid DD coefficient (UH+) (0.022 to 0.025 m/h) and high separation factor (S) (139-260) compared with the commercial membrane. Furthermore, the developed AEMs was acceptably stable (weight loss < 20%) in the acid wastewater at 60 °C as an accelerated severe condition for 2 weeks. These results clearly indicated that the developed AEMs have sufficient potential for acid recovery application by DD process.

Polydopamine Functionalized Graphene Oxide as Membrane Nanofiller: Spectral and Structural Studies.

High-degree functionalization of graphene oxide (GO) nanoparticles (NPs) using polydopamine (PDA) was conducted to produce polydopamine functionalized graphene oxide nanoparticles (GO-PDA NPs). Aiming to explore their potential use as nanofiller in membrane separation processes, the spectral and structural properties of GO-PDA NPs were comprehensively analyzed. GO NPs were first prepared by the oxidation of graphite via a modified Hummers method. The obtained GO NPs were then functionalized with PDA using a GO:PDA ratio of 1:2 to obtain highly aminated GO NPs. The structural change was evaluated using XRD, FTIR-UATR, Raman spectroscopy, SEM and TEM. Several bands have emerged in the FTIR spectra of GO-PDA attributed to the amine groups of PDA confirming the high functionalization degree of GO NPs. Raman spectra and XRD patterns showed different crystalline structures and defects and higher interlayer spacing of GO-PDA. The change in elemental compositions was confirmed by XPS and CHNSO elemental analysis and showed an emerging N 1s core-level in the GO-PDA survey spectra corresponding to the amine groups of PDA. GO-PDA NPs showed better dispersibility in polar and nonpolar solvents expanding their potential utilization for different purposes. Furthermore, GO and GO-PDA-coated membranes were prepared via pressure-assisted self-assembly technique (PAS) using low concentrations of NPs (1 wt. %). Contact angle measurements showed excellent hydrophilic properties of GO-PDA with an average contact angle of (27.8°).

Recent Developments and Advancements in Graphene-Based Technologies for Oil Spill Cleanup and Oil-Water Separation Processes.

The vast demand for petroleum industry products led to the increased production of oily wastewaters and has led to many possible separation technologies. In addition to production-related oily wastewater, direct oil spills are associated with detrimental effects on the local ecosystems. Accordingly, this review paper aims to tackle the oil spill cleanup issue as well as water separation by providing a wide range of graphene-based technologies. These include graphene-based membranes; graphene sponges; graphene-decorated meshes; graphene hydrogels; graphene aerogels; graphene foam; and graphene-coated cotton. Sponges and aerogels modified by graphene and reduced graphene oxide demonstrated effective oil water separation owing to their superhydrophobic/superoleophilic properties. In addition, oil particles are intercepted while allowing water molecules to penetrate the graphene-oxide-coated metal meshes and membranes thanks to their superhydrophilic/underwater superoleophobic properties. Finally, we offer future perspectives on oil water separation that are hindering the advancements of such technologies and their large-scale applications.

Key Applications and Potential Limitations of Ionic Liquid Membranes in the Gas Separation Process of CO2, CH4, N2, H2 or Mixtures of These Gases from Various Gas Streams.

Heightened levels of carbon dioxide (CO2) and other greenhouse gases (GHGs) have prompted research into techniques for their capture and separation, including membrane separation, chemical looping, and cryogenic distillation. Ionic liquids, due to their negligible vapour pressure, thermal stability, and broad electrochemical stability have expanded their application in gas separations. This work provides an overview of the recent developments and applications of ionic liquid membranes (ILMs) for gas separation by focusing on the separation of carbon dioxide (CO2), methane (CH4), nitrogen (N2), hydrogen (H2), or mixtures of these gases from various gas streams. The three general types of ILMs, such as supported ionic liquid membranes (SILMs), ionic liquid polymeric membranes (ILPMs), and ionic liquid mixed-matrix membranes (ILMMMs) for the separation of various mixed gas systems, are discussed in detail. Furthermore, issues, challenges, computational studies and future perspectives for ILMs are also considered. The results of the analysis show that SILMs, ILPMs, and the ILMMs are very promising membranes that have great potential in gas separation processes. They offer a wide range of permeabilities and selectivities for CO2, CH4, N2, H2 or mixtures of these gases. In addition, a comparison was made based on the selectivity and permeability of SILMs, ILPMs, and ILMMMs for CO2/CH4 separation based on a Robeson's upper bound curves.

Effect of Membrane Fouling on Fertilizer-Drawn Forward Osmosis Desalination Performance.

Fertilizer-drawn forward osmosis (FDFO) has garnered immense attention for its application in the agricultural field and its potential to reuse wastewater sustainably. Membrane fouling, however, remains to be a challenge for the process. This study aims to investigate the influence of membrane fouling on the performance of the FDFO process. Synthetic wastewater (SWW) and multi-component fertilizer (MCF) were used as feed solution (FS) and draw solution (DS) with cellulose triacetate (CTA) forward osmosis (FO) membrane orientation. The performance was evaluated through water flux (WF), percentage recovery and percentage of salt reject. The WF declined from 10.32 LMH (L/m2·h) to 3.30 LMH when ultra-pure water as FS was switched with concentration FS indicating the dependence of the performance on the type of FS used. Accelerated fouling experiments conducted to verify the fouling behavior showed a decline in the water flux from 8.6 LMH to 3.09 LMH with SWW and 13.1 LMH to 3.42 LMH when deionized water was used as FS. The effects of osmotic backwashing and in situ flushing as physical cleaning methods of the foul membrane were studied through water flux and salt recovery percentage. Both cleaning methods yielded a WF close to the baseline. Osmotic backwashing yielded better results by eliminating foulant-foulant and foulant-membrane adhesion. The cleaning methods were able to recover 75% of phosphate and 60% of nitrate salts. Scanning electron microscopy (SEM), atomic force microscopy (AFM) and Fourier transform infrared (FTIR) results validated the effectiveness of the methods for the physical cleaning of foul membranes. This study underlines the importance of the FS used in FDFO and the effectiveness of osmotic backwashing as a cleaning method of FO membranes.

Single crystal structure, vibrational spectroscopy, gas sorption and antimicrobial properties of a new inorganic acidic diphosphates material (NH4)2Mg(H2P2O7)2•2H2O.

We report on the successful synthesis of diammonium magnesium dihydrogendiphosphate (V) dihydrate compound (NH4)2Mg(H2P2O7)2•2H2O using a wet chemical route. Single crystal X-ray diffraction analysis and micro Raman spectroscopy are employed to characterize the compound. We demonstrate, using a multidisciplinary approach, that this compound is ideal for carbon dioxide (CO2) capture in addition to other anthropogenic gasses. We show here -from both an experimental as well as from a density functional theory (DFT) calculations routes- the potential for adopting this compound into domestic air-conditioning units (ACUs). From these experiments, the resistance to bacterial growth is also investigated, which is critical for the adoption of this compound in ACUs. Our  compound exhibits a higher methane (CH4) sorptivity as compared to CO2 at 25 °C and 45 °C under pressures up to 50 bars. Furthermore, DFT electronic structure calculations are used to compute the main structural and electronic properties of the compound, taking into consideration the characteristics of the identified pores as a function of the progressive CO2 vs. CH4 loadings. Finally, the antibacterial assay reveals a strong antibacterial activity against the tested Gram-positive and Gram-negative bacteria, with a large zone of inhibition against the tested E. Coli, S. Aureus and K. Pneumonia.

Metal-Organic Material Polymer Coatings for Enhanced Gas Sorption Performance and Hydrolytic Stability under Humid Conditions.

Physisorbent metal-organic materials (MOMs) have shown benchmark performance for highly selective CO2 capture from bulk and trace gas mixtures. However, gas stream moisture can be detrimental to both adsorbent performance and hydrolytic stability. One of the most effective methods to solve this issue is to transform the adsorbent surface from hydrophilic to hydrophobic. Herein, we present a facile approach for coating MOMs with organic polymers to afford improved hydrophobicity and hydrolytic stability under humid conditions. The impact of gas stream moisture on CO2 capture for the composite materials was found to be negligible under both bulk and trace CO2 capture conditions with significant improvements in regeneration times and energy requirements.

Solid Sorbents as a Retrofit Technology for CO2 Removal from Natural Gas Under High Pressure and Temperature Conditions.

The capture of CO2 under high pressure and temperature is challenging and is required in a number for industrial applications including natural gas processing. In this work, we examine the use of benchmark hybrid ultraporous materials HUMs for their potential use in CO2 adsorption processes under high-pressure conditions, with three varying temperatures (283, 298 and 318 K). NbOFFOVE-1-Ni and SIFSIX-3-Ni were the selected HUMs given their established superior CO2 capacity under low pressure (0-1 bar). Both are microporous with highly ordered crystalline structures as compared to the mesoporous hexagonal silica (Santa Barbara Anhydrous-15 (SBA-15)). SBA-15 was previously tested for both low and high-pressure applications and can serve as a benchmark in this study. Sorbent characterization using XRD, SEM, FTIR and N2 adsorption were conducted to assure the purity and structure of the sorbents. TGA analysis were conducted to establish the thermal stability of the sorbents under various temperatures. High-pressure CO2 adsorption was conducted from 0-35 bar using magnetic suspension balance (Rubotherm). Although the SBA-15 had the highest surface (527 m3/g) are of the three adsorbents, the CO2 adsorption capacity (0.42 mmol/g) was an order of magnitude less than the studies HUMs with SIFSIX-3-Ni having 2.6 mmol/g, NbOFFIVE-1-Ni achieving 2.5 mmol/g at 298 K. Multistage adsorption isotherms were obtained at different pressures. In addition, results indicate that electrostatics in HUMs are most effective at improving isosteric heat of adsorption Qst and CO2 uptake. Higher temperatures had negative effect on adsorption capacity for the HUMs and SBA-15 at pressures between 7-9 bar. In SAB-15 the effect of temperature is reversed in what is known as a cross over phenomena.

Modeling and simulation of fertilizer drawn forward osmosis process using Aspen Plus-MATLAB model.

Although experimental studies on the impact of feed (FS) and draw solutions (DS) on the forward osmosis (FO) applications are reported in literature, systematic mathematical modeling considering the dynamic change in solution properties is lacking. In this study, asymmetric FO membrane simulation model was established using Aspen Plus-MATLAB subroutines algorithm to account for the effect of concentration polarization (CP), types of FS and DS and in their properties on FO performance. The developed model was validated by comparing the simulation with experimental results. The model successfully predict the performance of FO process under wide varieties of operational conditions, FS and DS flow rates and concentrations. The model showed that the variation of MCFDS concentration had a marked effect on water flux (WF) in contrast to flow rate. The WFs obtained from seawater (SW) increased from 5.28 L/m2.h to 42.08 L/m2.h as MCFDS changes from 150 g/L to 300 g/L which corresponding to 11.66% to 45.33% of water recovery. As for synthetic aquaculture wastewater (SAWW), 9.70 L/m2.h to 37.32 L/m2.h of WFs were exhibited with the increase of MCFDS concentration from 50 g/L to 200 g/L, respectively. The effect of concentrated external CP (CECP) was found to be significant in case of SW and negligible with SAWW. Whereas, increasing MCFDS concentration increases the severity effect of dilutive internal CP (DICP). The degree of DICP depends on the solute resistivity (KD) of porous layer, which were elevated (4.22-5.88 s/m) as MCFDS concentration increases (150-300 g/L). The study demonstrated the effectiveness and suitability of the developed Aspen Plus-MATLAB model simulating the FO process.

An overview on trace CO2 removal by advanced physisorbent materials.

This review paper focuses on various gas processing technologies and materials that efficiently capture trace levels of carbon dioxide (CO2). Fundamental separation mechanisms such as absorption, adsorption, and distillation technology are presented. Liquid amine-based carbon capture (C-capture) technologies have been in existence for over half a century, however, liquid amine capture relies upon chemical reactions and is energy-intensive. Liquid amines are thus not economically viable for broad deployment and offer little room for innovation. Innovative C-capture technologies must improve both the environmental footprint and cost-effectiveness. As a promising alternative, physisorbents have many advantages including considerably lower regeneration energy. Generally, existing classes of physisorbent materials, such as metal-organic frameworks (MOFs) and zeolites are selective toward C-capture. However, their selectivity is currently not high enough to remove trace levels (e.g., ~1%) of CO2 from various natural gas process streams. This review summarizes the current advancements in physisorbent materials for CO2 capture. Here, key performance parameters needed to select the most suitable candidate are highlighted. Furthermore, this review discusses the scope for the development of better performing CO2 selective physisorbents from both environmental and economic perspectives. In addition, hybrid ultra microporous materials (HUMs), characterized mainly by ultra-micro pores (<0.7 nm), are discussed in reference to C-capture. Various characteristics of HUMs result in high selectivity and applicability in difficult separations such as the gas sweetening and C-capture from complex humid mixed gas streams.

Density-Functional Theory Investigation of Barite Scale Inhibition Using Phosphonate and Carboxyl-Based Inhibitors.

Scale deposition is a critical issue in oil and gas exploration and production processes, causing significant blocking in tubing and consequently flow assurance and economic losses. Most studies addressing the scale formation have been limited on the experimental impact of different variables on scale formation. In this work, the inhibition of barite scale deposition was investigated by employing molecular simulations for three different scale inhibitors, namely, polyaspartic acid (PASP), nitrilotrimethylenephosphonate (NTMP), and dimethylenetriaminepenta(methylene-phosphonic acid) (DETPMP). Geometrical analyses were used to explore the performances of the inhibitors and visualize the outcomes. quantitative structure activity relationship parameters were also used to predict the activity of the inhibitors in the system. The order of the inhibitors is in agreement with the experiments with the following values for binding energies: -1.06, -0.17, and -2.33 eV for PASP, NTMP, and DETPMP, respectively. The results of this study indicated that the inhibition strength of the three inhibitors on barite scale formation can be sequenced as DETPMP > PASP > NTMP. Moreover, the ecological toxicity (eco-tox) properties were predicted, and the environmental impact of the different inhibitors was assessed. All inhibitors showed comparable eco-tox properties and predicted to be soluble in water. Molecular simulations proved to be an effective tool in the prediction of the performance and toxicity of barite scale inhibitors.