Sharif Digital Repository

Carbon capture is crucial for mitigating climate change and achieving global emissions reduction targets. Among various technologies, absorption-based methods using aqueous solvents are among the most common and efficient, offering high capture rates and retrofit capabilities for existing industrial facilities. However, selecting the optimal solvent is challenging due to its direct impact on the performance, efficiency, and cost-effectiveness of the carbon capture process. This research introduces a novel multi-class classification methodology for solvent selection in carbon capture. Leveraging a dataset of 656 data points, including features such as temperature, pressure, molar ratio, and... 

The partitioning of penicillin G acylase in aqueous two-phase systems (ATPS's) containing poly(ethylene glycol) (PEG) 20000 or 35000 and potassium dihydrogen phosphate (KH2PO4) or sodium citrate (C 6H5Na3O7 ·5H2O) has been measured at three temperatures, (301.2, 307.2, and 310.2) K. The effects of temperature, polymer molecular weight, and polymer and salt concentrations on the partitioning of penicillin G in the ATPS were studied. The experimental data showed that the composition of salt has a large effect on partitioning of penicillin G in ATPS, and the temperature of the system has a small effect on the partitioning. The UNIFAC-FV group contribution model (Pazuki et al., Ind. Eng. Chem.... 

The authors studied the efficiency and accuracy of neural network model for prediction of permeability as a key parameter in reservoir characterization. So, some multilayer perceptron (MLP) neural network models with different learning algorithms of Levenberg-Margnardt, back propagation, improved back propagation (IBP), and quick propagation with three layers and different node numbers (3, 4, 5, 6, 7) in the middle layer have been presented. These models have been obtained by 630 permeability data from one of offshore reservoirs located in Saudi Arabia. The accuracy of models was studied by comparing the obtained results of each model with experimental data. So, the neural network with IBP... 

In this research, direct conversion of wet algal biomass into biodiesel using supercritical methanol was studied. In this process, microalgal lipids simultaneously was extracted and converted to biodiesel under high pressure and temperature conditions without using any catalyst. Several experiments have been performed to optimize the methanol amount and it has been revealed that the best performance was achieved by using methanol/wet biomass ratio of 8:1. The effect of using various co-solvents in increasing the efficiency of the supercritical process was investigated. It has been shown that hexane was the most effective co-solvent and its optimal ratio respect to wet biomass was 6:1. The... 

In this work, an artificial neural network model was used to obtain the partition coefficients of biomolecules in polymer-polymer aqueous two-phase systems. In the artificial neural network, the partition coefficient of a biomolecule depends on the difference between concentrations of poly (ethylene glycol), dextran in the top and bottom phases, temperature and molecular weights of poly (ethylene glycol), dextran, and the biomolecule. The network topology is optimized and the (6-1-1) architecture is found using optimization of an objective function with sequential quadratic programming (SQP) method for 450 experimental data points. The results obtained from the neural network of the... 

In this article, a new hydration model has been proposed to study the phase behavior of aqueous electrolyte solutions. The proposed model distinguishes between an anion and cation in the electrolyte solution. The model has three adjustable parameters which can be obtained using the experimental data of the mean ionic activity coefficients for 113 electrolyte solutions. The results of the proposed model were compared with those of obtained from the Pitzer, the E-NRTL and the E-Wilson models. The results showed that the proposed model can accurately correlate the mean ionic activity coefficients of the aqueous electrolyte solutions than the other models. Also, the proposed model was used in... 

In this study, the recently proposed model by Pazuki et al., based on the local composition concept (LCC), has been used in correlating the vapor-liquid phase behavior of polymer solutions. Similar to the LCC models available in the literature, the proposed model has two combinatorial and residual terms to account for both entropic as well as enthalpic effects in solution. The Flory-Huggins model has been considered as the combinatorial part of the proposed model, while the equation proposed by Pazuki et al. was considered as the residual term. The proposed model has been used in correlating the vapor-liquid phase behavior for a large number of polymer-solvent mixtures at different... 

In this article, a new group contribution model is suggested for obtaining the thermodynamic properties of biomolecules in aqueous solutions. Accordingly, a Freed-FV model has been applied for the combinatorial free-volume term. The activity coefficients, solubilities, densities, and vapor pressures of amino acids and simple peptides in aqueous solutions were correlated, using the proposed group contribution model. Group interaction parameters of the proposed model were obtained by use of experimental data from amino acids available in the literature. The results demonstrate that the group contribution model can accurately correlate activity coefficient, solubility, density, and vapor... 

A new local composition model was used to study the phase behavior of polymer-polymer and polymer-salt aqueous two-phase systems. The proposed model has three terms which account for the combinatorial, the long-range and the short-range effects in solution. The Flory-Huggins and the Debye-Hückel models were used for the combinatorial and long-range contributions. The interaction parameters of the model studied in this work can be regressed using a non-liner regression between the experimental data and those obtained from the proposed model. Also, this model was applied for modeling the partitioning of biomolecules in polymer-polymer and polymer-salt aqueous two-phase systems. The results... 

In this work, the modified Wilson model was used to obtain the activity coefficients of amino acids and simple peptides in non-electrolyte aqueous solutions. The Wilson model was modified using the new local mole fraction proposed by Zhao et al. and non-random case for the reference state. The binary interaction parameters (BIP) of the modified Wilson model for amino acid-water pairs were obtained using the experimental data of the activity coefficients for amino acids available in the literature. The modified Wilson model was also used to correlate the solubility of amino acids in water and the values of Δh/R, Δs/R, and Δg/R of the solutions studied were reported. The results obtained... 

In this research, a new local composition model has been proposed to study the vapor-liquid and liquid-liquid phase equilibria of polyelectrolyte solutions. The proposed model has been used in order to obtain the activity of water in polyethylene glycol (PEG) and polypropylene glycol (PPG) solutions. The interaction parameters introduced into the proposed model have been reported. The interaction parameters between the salt and water molecule have been estimated using the experimental mean ionic activity coefficients of aqueous electrolytes studied in this work. Also, the interaction parameters between the polymer and salt molecule, and the polymer and water molecule have been computed using... 

In this research, a two-stage process consisting of cultivation in nutrient rich and nitrogen starvation conditions was employed to enhance lipid production in Chlorella vulgaris algal biomass. The effect of supplying different organic and inorganic carbon sources on cultivation behavior was investigated. During nutrient sufficient condition (stage I), the highest biomass productivity of 0.158. ±. 0.011. g/L/d was achieved by using sodium bicarbonate followed by 0.130. ±. 0.013, 0.111. ±. 0.005 and 0.098. ±. 0.003. g/L/d for sodium acetate, carbon dioxide and molasses, respectively. Cultivation under nitrogen starvation process (stage II) indicated that the lipid and fatty acid content... 

In this study, a novel experimental approach was used to overcome the lack of phase equilibrium information to obtain data that is more applicable to industrial situations. Liquid-liquid equilibrium (LLE) data, tie-lines, and phase boundaries were carried out for two systems of canola oil methyl esters (containing 1 wt % KOH) + glycerol + methanol and sunflower oil methyl esters (containing 1 wt % KOH) + glycerol + methanol at three different temperatures (303.15, 313.15, and 323.15 K). The quality of data was also ascertained using Othmer-Tobias correlations. The experimental LLE data was also correlated by the nonrandom two-liquid (NRTL) and the Wilson-NRF Gibbs free energy models. The... 

In this work, the proposed model by Pazuki et al. based on the Local Composition Concept (LCC), has been used in correlating the vapor-liquid phase behavior of polymer solutions and the liquid-liquid phase behavior of aqueous two-phase systems. The Flory-Huggins model has been used as the combinatorial part of the proposed model, as well as the model proposed by Pazuki et al. was considered as the residual term. The proposed model has been used in correlating the vapor-liquid phase behavior for a number of PEG-Water systems at constant temperature. The results obtained from the proposed model have been compared with those obtained from the Poly-NRTL and the Poly-Wilson models. The results... 

In this work, an expression for the free volume Gibbs energy model based on the local composition concept (LCC) has been proposed in correlating the solubility, the partitioning and the surface tension of β-lactam, tetracycline, fluoroquinolone and chloramphenicol antibiotic groups in water, alcohol, ketone, trihalomethane, ether and ester solvent groups. Similar to the LCC models the proposed model has two combinatorial and residual terms. The extended Guggenheim model is used as combinatorial term and a new local composition-based model, which is the extended local area fraction NRTL-NRF model, is proposed for the residual term. The results obtained from the proposed model have been... 

Compared with fossil fuel, biomass is a clean energy with zero CO 2 emission, because CO 2 is fixed by photosynthesis during biomass growth and released again during utilization. Due to its low energy density, direct use of biomass is not convenient. Thus, it is necessary to convert biomass to fuel gas, such as hydrogen, which can be used cleanly and highly efficiently in fuel cell. Thermo-chemical gasification is likely to be the most cost-effective conversion process and it is promising technology for renewable hydrogen production by utilizing biomass. Biomass gasification produces a mixture of gases (mainly consisting of H 2, CO, CO 2, CH 4 and higher hydrocarbons), solids (char) and... 

A modified form of the UNIQUAC-NRF activity coefficient model was used to study the phase behaviour of the aqueous two-phase systems (ATPSs) of polyethylene glycol (PEG) and dextran (DEX) with different molecular weights at various temperatures. In the proposed model, a ternary interaction parameter was added to the expression for the excess Gibbs free energy and, in turn, to the corresponding activity coefficient rendered by the UNIQUAC-NRF model. The combinatorial part of the new model takes the same form as that of the original UNIQUAC model and the residual part considers the nonrandomness and also the binary and the ternary interactions among the molecules in mixtures of PEG, DEX, and... 

In this paper, the soave-Redlich-Kwong (SRK) Eos is modified based on perturbation theory. The parameter of the new cubic equation of state considered reduced temperature and a centric factor dependent. The average of absolute deviations of predicted vapor pressure, vapor volume and saturated liquid density of 30 pure compounds are 0.814.2.G14 and 5.814%, respectively. Also comparison with the new equation of vaporization of pure compounds are given. The florry-Hugines (FH) model is similarly modified by an adjustable parameter. This parameter is defined based on molecular weight of asphaltene to molecular weight of heavy oil ratio in form of polynomial function. The phase behavior of... 

(Liquid + liquid) equilibrium (LLE) data for the ternary systems (heptane + toluene + 1-ethyl-3-methylpyridinium ethylsulfate) and (heptane + benzene + 1-ethyl-3-methylpyridinium ethylsulfate) were measured at T = 298.15 K and atmospheric pressure. The selectivity and aromatic distribution coefficients, calculated from the equilibrium data, were used to determine if this ionic liquid can be used as a potential extracting solvent for the separation of aromatic compounds from heptane. The consistency of tie-line data was ascertained by applying the Othmer-Tobias and Hand equations  

In this study, the liquid-liquid phase behavior of aromatic compound. +. aliphatic compound. +. ionic liquid (IL) ternary systems was estimated by using two artificial neural networks (ANN) developed based on back propagation (BP) and hybrid group method of data handling (GMDH). Molar ratio of aliphatic compound, aromatic compound, and IL as well as temperature, molecular weight ratio of aliphatic compound to IL, and molecular weight ratio of aromatic compound to IL were chosen as the inputs to the networks. Additionally, the mole fraction of components in final alkane-rich phase and IL-rich phase was considered as desired outputs. The best topology of the BP-ANN model was found as (6-8-4)....