@article { author = {Peyrovi, Mohammad Hassan and Parsafard, Nastaran and Sajedi, Amir}, title = {Kinetic Study and Modelling of n-Heptane Reforming Process over Pt/Zr-HMS/HZSM-5 Composite Catalysts}, journal = {Physical Chemistry Research}, volume = {7}, number = {1}, pages = {1-9}, year = {2019}, publisher = {Iranian Chemical Society}, issn = {2322-5521}, eissn = {2345-2625}, doi = {10.22036/pcr.2018.143805.1517}, abstract = {Pt/Zr(x)-HMS/HZSM-5 catalysts with various Si/Zr ratios (as x) were used for investigation of the kinetics of n-heptane reforming process under 350 - 450 oC reaction temperature, 35 to 80 ml min-1 flowing rate of hydrogen and 2 to 5 ml h-1 flowing rate of n-heptane. In the present work, two kinetics (power law and Langmuir - Hinshelwood) models were selected and examined to describe the kinetics of the n-heptane reforming process over the used catalysts. The results show that the Langmuir - Hinshelwood model provides a better fit with the experimental data and allows to determine the kinetics parameters. Among the synthesized catalysts, Pt/Zr(35)-HMS/HZSM-5 (with Si/Zr = 35) has the best performance for this process. Because this catalyst in contrast to others, based on the apparent activation energies, has a fast formation of aromatic and isomeric products, and low rate on the production of by-products, such as cracking and hydrogenolysis products.}, keywords = {Reforming,Kinetics,Power law model,Langmuir-Hinshelwood model}, url = {https://www.physchemres.org/article_76642.html}, eprint = {https://www.physchemres.org/article_76642_3ccb67924ab68bb7a829c032d25ee9c0.pdf} } @article { author = {Vaddi, Dhilleswararao and Subbarao, Mushini Venkata and Muralikrishna, M.P.S.}, title = {Removal of Manganese(II) from Aqueous Solution by Chemically Activated Thuja Occidentalis Leaves Carbon (CATLC) as an Adsorbent: Adsorption Equilibrium and Kinetic Studies}, journal = {Physical Chemistry Research}, volume = {7}, number = {1}, pages = {11-26}, year = {2019}, publisher = {Iranian Chemical Society}, issn = {2322-5521}, eissn = {2345-2625}, doi = {10.22036/pcr.2018.149256.1539}, abstract = {In this research paper, chemically activated Thuja Occidentalis leaves carbon (CATLC) is used as an adsorbent for the expulsion of Mn(II) from aqueous solution. CATLC is characterized by FTIR, SEM and EDX. The effect of pH, initial Mn(II) concentration, CATLC dosage and contact time on the adsorption performance of CATLC for Mn(II) ions are examined by batch studies. The results reveal that CATLC has a high potential to adsorb Mn(II) ions (96.1% removal) at pH 7.00 at room temperature. To know the equilibrium behaviour of Mn(II) adsorption, Frendlich and Langmuier models are examined, and the data reveal that Freundlich model (R2= 0.9900) fits better than Langmuir isotherm (R2=0.8499) for adsorption of Mn(II). The maximum adsorption capacity of the CATLC obtained by Langmuir model (Qm) is of 5.13. The R2 value of 0.995 in kinetic adsorption studies, with strongly favours pseudo-second-order model rather than pseudo-first order, intraparticle diffusion and Elovich models. Regeneration studies indicate that CATLC can be regenerated easily and reused for several adsorption-desorption cycles, with brine solution as a regenerating agent. Hence, CATLC adsorbent is the best alternative for Mn(II) rich water samples.}, keywords = {Adsorption,Mn(II) removal,Thuja Occidentalis leaves,CATLC,FTIR,EDX}, url = {https://www.physchemres.org/article_77033.html}, eprint = {https://www.physchemres.org/article_77033_f5b11bc3959f6d2e5ed138e3aaa7c534.pdf} } @article { author = {S, Deepthi and Jha, Anjali and Shankar Kumar. Ch, Ravi}, title = {Spectroscopic and FMO Studies of Cholesteryl Stereate Complexes for Electrooptical Activity}, journal = {Physical Chemistry Research}, volume = {7}, number = {1}, pages = {27-36}, year = {2019}, publisher = {Iranian Chemical Society}, issn = {2322-5521}, eissn = {2345-2625}, doi = {10.22036/pcr.2018.144623.1522}, abstract = {Computational studies have attracted the attention of researchers to understand the structural behavior of the molecules. These methods grade complex systems for novel properties with new predictions in areas of physics, chemistry and biology useful for conduct of experimental studies. Nanoparticles in present day technologies have become integral part in diverse areas of science mostly with metal oxide nanoparticles. To understand the role of nanoparticles in physicochemical process, iron, zinc, aluminum and copper oxide nano particles were conjugated with cholesteryl stereate in formation of complexes with ultrasonication. Infrared and Raman spectra confirm bonding between cholesteryl stereate and metal oxide nanoparticles. Computational studies of cholesteryl stereate complexes with Gaussian 03 were analyzed for deterministic properties i.e. dipole moment, energy gap, electrophilicity index, polarisability and first order hyperpolarizability that are responsible for electrooptical activity. Interestingly iron oxide and zinc oxide metal nano particles has significant contribution in electrooptical activity than copper and aluminum oxide nano particles.}, keywords = {Cholesteryl stereate,DFT,FTIR,Electro-optical activity}, url = {https://www.physchemres.org/article_79167.html}, eprint = {https://www.physchemres.org/article_79167_da018c9317c29d595f711561382a11eb.pdf} } @article { author = {Rostamizadeh, Mohammad and Jalali, Hadi and Naeimzadeh, Farnaz and Gharibian, Soorena}, title = {Efficient Removal of Diclofenac from Pharmaceutical Wastewater Using Impregnated Zeolite Catalyst in Heterogeneous Fenton Process}, journal = {Physical Chemistry Research}, volume = {7}, number = {1}, pages = {37-52}, year = {2019}, publisher = {Iranian Chemical Society}, issn = {2322-5521}, eissn = {2345-2625}, doi = {10.22036/pcr.2018.144779.1524}, abstract = {In this study, we report removal of Diclofenac (DCF) through heterogeneous Fenton process using Fe-ZSM-5 catalyst. The parent catalyst was prepared by hydrothermal technique. Fe species were introduced by wet impregnation. Characterization of the catalysts was carried out using XRD, FT-IR, FE-SEM, N2 adsorption-desorption, NH3-TPD, and acidimetric-alkalimetric titration. The bimetallic catalyst had the high crystallinity (81.2%), specific surface area (291.8 m2g-1) and uniform spherical morphology. Effect of pH, temperature, catalyst concentration, and H2O2 concentration on DCF removal efficiency was investigated. The results showed that the optimum conditions were reaction temperature of 25 ºC, H2O2 concentration of 10mM, pH level of 3, and catalyst concentration of 2g L-1 which resulted in the highest DCF removal (97%). The catalyst was applied in the sequence cycles at the optimum reaction conditions which had no significant change in the catalytic performance. The prepared catalyst showed the high potential for the treatment of the pharmaceutical wastewater due to the high efficiency and stability.}, keywords = {Advanced Oxidation Process,Heterogeneous Fenton,Diclofenac,Catalyst,Zeolite}, url = {https://www.physchemres.org/article_79168.html}, eprint = {https://www.physchemres.org/article_79168_6c6a491f89f238a69a4adcead663f968.pdf} } @article { author = {Rouhi, Parham}, title = {Efficient Rapid Deodorization of Mercaptan-Contaminated Soil by Sono-Fenton Process: Response Surface Modeling and Optimization}, journal = {Physical Chemistry Research}, volume = {7}, number = {1}, pages = {53-64}, year = {2019}, publisher = {Iranian Chemical Society}, issn = {2322-5521}, eissn = {2345-2625}, doi = {10.22036/pcr.2018.142611.1514}, abstract = {The entry of mercaptans into the environment as an odor pollutant has always been considered as one of the environmental concerns. In this research, a sonochemical oxidation (sono-Fenton) method was used for rapid deodorizing of tert-butyl mercaptan (TBM) contaminated soil. The design of the experiments was conducted by CCD method and the effect of four different factors was investigated on the remediation efficiency. The complete remediation of the soil was achieved at a concentration of hydrogen peroxide equal to 1g/l, the weight ratio of iron sulfate to soil, 0.004, the sonication power of 100W, and the pollution charge of 25000 ppm. Pareto analysis showed that the factor of H2O2 concentration with an effect of 43% and sonication power with a 26% effect had the greatest effect on the efficiency of mercaptan removal. Based on the experimental results, increasing the concentration of hydrogen peroxide and sonication power through increasing hydroxyl oxidation radicals result in enhancing the removal efficiency. Further, increasing the pollution load decreases the remediation efficiency although the intensity and heat generated by the oxidation reaction increases. The fitted quadratic model with correlation coefficient of 98% can accurately predict the removal efficiency.}, keywords = {Soil deodorization,Tert-butyl mercaptan (TBM),Advanced oxidation,Fenton,Ultrasound energy}, url = {https://www.physchemres.org/article_79539.html}, eprint = {https://www.physchemres.org/article_79539_d134cef13252723c6fc06a52cd6d22f4.pdf} } @article { author = {Abbasi, Zahra and Farrokhnia, Abdolhadi and Garcı´a-Lo´pez, E.I. and Zargar Shoushtari, M.}, title = {Codeposition of Fe3O4 Nanoparticles Sandwiched Between g-C3N4 and TiO2 Nanosheets: Structure, Characterization and High Photocatalytic Activity for Efficiently Degradation of Dye Pollutants}, journal = {Physical Chemistry Research}, volume = {7}, number = {1}, pages = {65-80}, year = {2019}, publisher = {Iranian Chemical Society}, issn = {2322-5521}, eissn = {2345-2625}, doi = {10.22036/pcr.2018.147945.1537}, abstract = {Novel ternary nanocomposite photocatalysts based on g-C3N4/Fe3O4/TiO2 nanosheet were synthesized using simple solid combustion, hydrothermal and wetness impregnation methods. The g-C3N4 nanosheet (2D)/ Fe3O4/ TiO2 nanosheet (2D) triad-interface nanocomposite arranged in the form of Fe3O4 nanoparticle was sandwiched and well dispersed on the surface between g-C3N4 and TiO2 nanosheets. The synthesized all composites were characterized by techniques such as X-ray Diffraction (XRD), Fourier Transform Infrared (FT-IR) Spectroscopy, Field Emission Scanning Electronic Microscopy (FE-SEM), Transmission Electron Microscope (TEM), Vibrating Sample Magnetometer (VSM), Specific Surface Area (SSA) and Dynamic Laser Scattering analyzer (DLS). The effect of Fe3O4 loading quantity on photocatalytic overall performance indicated that g-C3N4 nanosheets/ Fe3O4 /TiO2 nanosheets with 5wt.% Fe3O4 nanoparticle exhibit the best photocatalytic ability. After irradiation for 210 min, the methylene blue (MB) degradation efficiency was 63% for g-C3N4, 58% for TiO2, 71% for g-C3N4-TiO2, 85% for g-C3N4-1wt% Fe3O4-TiO2, 96% for g-C3N4-5wt% Fe3O4- TiO2, and 77% for g-C3N4-10wt% Fe3O4-TiO2 indicating that nanocomposites with 5wt% Fe3O4 had the best photocatalytic performance. The SSA of the TiO2, g-C3N4, g-C3N4-TiO2 and g-C3N4-10wt% Fe3O4-TiO2 were determined using Sear’s method. Finally, it is worth mentioning that the surface area of the g-C3N4-10wt% Fe3O4- TiO2 photocatalyst has been found to be 66.2 m2/g.}, keywords = {Heterostructure,photocatalyst,Photocatalytic activity,Nanosheet}, url = {https://www.physchemres.org/article_80175.html}, eprint = {https://www.physchemres.org/article_80175_7b4fa1547f3ae8b409b7d02a29ab3f3f.pdf} } @article { author = {Saheb, Vahid and Nazari, Afsaneh}, title = {Products of the Self-Reaction of HCO Radicals: Theoretical Kinetics Studies}, journal = {Physical Chemistry Research}, volume = {7}, number = {1}, pages = {81-94}, year = {2019}, publisher = {Iranian Chemical Society}, issn = {2322-5521}, eissn = {2345-2625}, doi = {10.22036/pcr.2018.149431.1540}, abstract = {The mechanism of the self-reaction of HCO radicals is investigated by using high-level quantum-chemical methods including M05-2X, CCSD, CCSD(T) and CRCC(2,3). Next, the rate coefficients for several product channels as a function of pressure and temperature are computed by employing statistical rate theories. Four important product channels are predicted to be CO + CO + H2, HCOH + OH, cis-(HCO)2 and trans-(CHO)2. It is found that the bimolecular rate coefficients for the formation of cis-(HCO)2 and trans-(CHO)2 are strongly pressure-dependent. The rate coefficients for the product channels CO + CO + H2 and HCOH + OH are predicted to be slightly pressure-dependent. At lower pressures and higher temperatures, the products CO + CO + H2 and HCOH + OH are dominant, while at higher pressures and lower temperatures, cis-(HCO)2 and trans-(CHO)2 formation becomes important.}, keywords = {Formyl radical,HCO,Self-reaction,Quantum chemical methods,theoretical,Kinetic studies}, url = {https://www.physchemres.org/article_80636.html}, eprint = {https://www.physchemres.org/article_80636_858f6a794b54041a91b92e0191f40e56.pdf} } @article { author = {Mousazadeh, Mohammad}, title = {A Molecular-Based Equation of State for Vapour-liquid Equilibrium of Pure Substances}, journal = {Physical Chemistry Research}, volume = {7}, number = {1}, pages = {95-109}, year = {2019}, publisher = {Iranian Chemical Society}, issn = {2322-5521}, eissn = {2345-2625}, doi = {10.22036/pcr.2018.144626.1523}, abstract = {A semi-empirical equation of state has been studied for modelling vapour-liquid data of pure substances. The specific molecular based equation of state is employed here as basis because of its mathematical simplicity. The semi-empirical extension has been accomplished to real fluids by correlating the density dependence of the attraction term to vapour liquid data of a reference fluid. The resulting attraction term is mathematically relatively simple and fulfills the topological requirements given by the physical background. With this model vapour-liquid equilibrium data for pure substances have been correlated. The investigated systems include n-alkanes, 1-alkanols, acetone and carbon dioxide. The results are compared with those obtained by PR (Peng-Robinson), SRK (Soave-Redlich-Kwon) and RM (Riazi-Mansoori) equations of state.}, keywords = {Equation of state,Statistical mechanics,Polar fluids,the Reduced dipole moment,Molecular thermodynamics}, url = {https://www.physchemres.org/article_80637.html}, eprint = {https://www.physchemres.org/article_80637_e5888638165613733aeb8d3fb69ef9cd.pdf} } @article { author = {Khayyat, Yasin and Esmaeilzadeh, Fereidun and Rasoolzadeh, Ali}, title = {Minimum Miscibility Pressure Using the Multiple Mixing-cell Combined with the PC-SAFT Equation of State}, journal = {Physical Chemistry Research}, volume = {7}, number = {1}, pages = {111-130}, year = {2019}, publisher = {Iranian Chemical Society}, issn = {2322-5521}, eissn = {2345-2625}, doi = {10.22036/pcr.2018.139119.1503}, abstract = {The minimum miscibility pressure (MMP) is one of the crucial and substantial parameters in the gas injection projects for enhanced oil recovery (EOR). This parameter indicates the minimum pressure at constant temperature and composition conditions for reaching 100 percent of the oil production recovery which leads to a huge economic income. Therefore, an inaccurate prediction of the MMP may lead to increase the costs of oil production. Among the various methods for prediction of the MMP: slim-tube experiment, slim-tube simulation techniques and their simplified cell-to-cell could be considered as the most accurate methods. Although the experimental methods for calculation the MMP take into account the real crude oil, but they are always expensive; therefore, thermodynamic simulation is a better way for the estimation of this parameter. Indeed, the analytical methods are fast and some of them like multiple mixing-cell method used in this study lead to the reliable results and often show good agreements with the experimental methods. A combination of multiple mixing-cell model proposed by Ahmadi and Johns and pressure-temperature (P-T) flash calculations including the PC-SAFT equation of state (EoS), and the cubic equations of state of Peng-Robinson (PR) and Esmaeilzadeh-Roshanfekr (ER) were used in this work for the prediction of MMP. The results overally prove that the PC-SAFT EoS leads to more accurate results in comparison with the ER and PR equations of state.}, keywords = {Minimum miscibility pressure,Enhanced oil recovery,PC-SAFT,gas injection}, url = {https://www.physchemres.org/article_80974.html}, eprint = {https://www.physchemres.org/article_80974_d6ec4ca064726b21ee85be8839f7303d.pdf} } @article { author = {Sohrabi, Nasrin and Rasouli, Nahid and Alirezaarab, Farzaneh}, title = {Response Surface Methodology for Optimizing Adsorption Process Parameters of Amaranth Removal Using Magnetic Layer Double Hydroxide (Fe3O4/ZnFe-LDH)}, journal = {Physical Chemistry Research}, volume = {7}, number = {1}, pages = {131-148}, year = {2019}, publisher = {Iranian Chemical Society}, issn = {2322-5521}, eissn = {2345-2625}, doi = {10.22036/pcr.2018.152521.1548}, abstract = {ABSTRACT Response surface methodology was employed to optimize the adsorption parameters of Amaranth onto magnetic layer double hydroxide (Fe3O4/ZnFe-LDH). Such optimization was undertaken to ensure a high efficiency over the experimental ranges employed, and to evaluate the interactive effects of the initial concentration of Amaranth, pH, adsorbent dosage, temperature and contact time on the adsorption process in order to improve the conditions employed in the batch process. A total of 32 desorption experimental runs were carried out employing the detailed conditions designed by response surface methodology based on the Box–Behnken design. The analysis of variance (ANOVA) indicated that a second-order polynomial regression equation was the most appropriate polynomial for fitting the experimental data. The experimental confirmation tests showed a correlation between the predicted and experimental responses (R2). The optimal point obtained was located in the valid region and the optimum adsorption parameters were predicted as an initial Amaranth concentration of 70.93 mg/L, a pH value of 3.6, adsorbent dosage of 0.01 g, a temperature of 31.82°C and contact time of 16.83 min.}, keywords = {Response Surface,Adsorption,Amaranth,Magnetic layer double hydroxide}, url = {https://www.physchemres.org/article_81352.html}, eprint = {https://www.physchemres.org/article_81352_a0f2913fdae71f80da5a987c670c5bbf.pdf} } @article { author = {Shekaari, Hemayat and Zafarani-Moattar, Mohammed and Mirheydari, Seyyedeh Narjes}, title = {Thermodynamic Study of L-alanine in Aqueous Solutions of 1-Hexyl-3-Methylimidazolium Ibuprofenate as an Active Pharmaceutical Ingredient Ionic Liquid (API-IL)}, journal = {Physical Chemistry Research}, volume = {7}, number = {1}, pages = {149-166}, year = {2019}, publisher = {Iranian Chemical Society}, issn = {2322-5521}, eissn = {2345-2625}, doi = {10.22036/pcr.2018.149764.1542}, abstract = {The present work reported density, viscosity, speed of sound, electrical conductivity and refractive index data of L-alanine in the aqueous solutions of 1-hexyl-3-methylimidazolium ibuprofenate at T= 298.15 K. Using the measured data, partial molar volume of transfer ( ), partial molar isentropic compressibility of transfer ( ), viscosity B-coefficient of transfer (∆traB), ion association constant (KA) and molar refraction (RD) quantities were calculated. The obtained parameters provide the information about the solvation properties of aqueous solutions of L-alanine in the presence of [HMIm][Ibu]. The positive values of , and ∆traB are indicative of the ion-polar and polar-polar interactions between [HMIm][Ibu] and L-alanine. In addition, decreeing the KA values with addition of L-alanine to the [HMIm][Ibu] solutions suggests that the ion pair formation don’t proceed spontaneously at higher concentration of amino acid.}, keywords = {1-Hexyl-3-methylimidazolium ibuprofenate,The Partial molar volume of transfer,Viscosity B-coefficient,Molar conductivity}, url = {https://www.physchemres.org/article_81461.html}, eprint = {https://www.physchemres.org/article_81461_87765c3dd8db44fb5e8a452547041e20.pdf} } @article { author = {Mehmadi-Kartalaie, Alireza and Mohammadi Nafchi, Abdorreza and Hashemi-Moghaddam, Hamid and Vakili, Mohammad Hasan}, title = {An Empirical Correlation for Estimation of the Thermal Conductivity of Saturated Liquid Refrigerants}, journal = {Physical Chemistry Research}, volume = {7}, number = {1}, pages = {167-180}, year = {2019}, publisher = {Iranian Chemical Society}, issn = {2322-5521}, eissn = {2345-2625}, doi = {10.22036/pcr.2018.144273.1520}, abstract = {Thermodynamic data on environmental refrigerants have attracted considerable interest in the optimization and design of heat compressors, exchangers and other refrigeration equipment. In this study, An optimization algorithm was used to obtain the constant parameters of the new empirical model by fitting them to the source databank. The model was used to calculate the constant coefficients of the new equation for 15474 data of 27 refrigerants (temperatures between 92 and 486 K) by fitting them with source data. The accuracy of the presented equation was compared with commonly used models. Results indicated that the developed model provides more accurate results than those of other considered equations, with an average absolute percentage deviation of 3.46%.}, keywords = {Refrigerant,Correlation,Thermal conductivity,Empirical}, url = {https://www.physchemres.org/article_81462.html}, eprint = {https://www.physchemres.org/article_81462_3986626be091450532fb29fba356851f.pdf} } @article { author = {Zolfaghari, Hamideh and Yousefi, Fakhri}, title = {PVT Properties of Pure Lubricants Using Equations of State and Artificial Intelligence}, journal = {Physical Chemistry Research}, volume = {7}, number = {1}, pages = {181-200}, year = {2019}, publisher = {Iranian Chemical Society}, issn = {2322-5521}, eissn = {2345-2625}, doi = {10.22036/pcr.2018.150936.1545}, abstract = {Statistical mechanical and artificial intelligence models are developed to predict the volumetric properties of lubricants under different conditions. It is shown that the knowledge of just liquid density at room temperature is satisfactory to approximate the PVT properties of pure lubricants in various conditions. As well, the performance of an artificial neural network (ANN) based on back propagation training with 7 neurons in a hidden layer for forecasting of behavior of lubricants was investigated. The average absolute deviations from literature for 1269 data points of pure lubricants using the improved Ihm-Song-Mason equation of state, Tao-Mason equation of state and ANN at different conditions are calculated to be 0.75%, 0.25% and 0.17%, respectively.}, keywords = {Lubricant,Statistical mechanics,Artificial Neural Network,Volumetric property}, url = {https://www.physchemres.org/article_81763.html}, eprint = {https://www.physchemres.org/article_81763_7ad2f1c1054fc66a37df55e1b58d2c0c.pdf} } @article { author = {Behroozi, Mahboobe and Vahedpour, Morteza and Shardi Manaheji, Mahtab}, title = {Separation of Formic Acid from Aqueous Solutions by Liquid Extraction Technique at Different Temperatures}, journal = {Physical Chemistry Research}, volume = {7}, number = {1}, pages = {201-215}, year = {2019}, publisher = {Iranian Chemical Society}, issn = {2322-5521}, eissn = {2345-2625}, doi = {10.22036/pcr.2019.154646.1557}, abstract = {In this study, the separation of formic acid from aqueous solutions was investigated. Liquid-liquid equilibrium (LLE) data including tie-lines was reported for water + formic acid + 2-methylpropyl ethanoate ternary mixture at (293.15 to 323.15) K and atmospheric pressure. The system shows type-I phase behavior based on Treybal’s classification because only one partially miscible binary mixture (water + 2-methylpropyl ethanoate) was observed. The composition of tie-lines was determined by cloud point method and refractive index measurements. The results show that the solubility of formic acid in the water-rich phase is more than in the solvent-rich phase. The extracting capability of the solvent was ascertained by determining the distribution coefficients and separation factors. The reliability of tie-line data was checked by Othmer–Tobias and Hand equations. The experimental data were correlated with NRTL and UNIQUAC models and the binary interaction parameters were determined. The values of the root-mean-square deviation (RMSD) were confirmed the quality of the correlations.}, keywords = {Liquid-liquid equilibrium,NRTL,UNIQUAC,Formic acid,2-Methylpropyl ethanoate}, url = {https://www.physchemres.org/article_82026.html}, eprint = {https://www.physchemres.org/article_82026_edccd71b496df6408fd987090cdf11bd.pdf} } @article { author = {Shekaari, Hemayat and Mirheydari, Seyyedeh Narjes and Zafarani-Moattar, Mohammed Taghi}, title = {Electrical Conductivity Studies of 1-Butyl-3-methylimidazolium Salicylate as an Active Pharmaceutical Ingredient Ionic Liquid (API-IL) in Aqueous Amino Acids Solutions}, journal = {Physical Chemistry Research}, volume = {7}, number = {1}, pages = {217-234}, year = {2019}, publisher = {Iranian Chemical Society}, issn = {2322-5521}, eissn = {2345-2625}, doi = {10.22036/pcr.2019.155184.1558}, abstract = {The molar conductivity data of 1-butyl-3-methylimidazolium salicylate, [BMIm][Sal] as an active pharmaceutical ingredient ionic liquid (API-IL) have been determined in water and aqueous solutions of amino acids, glycine and L-alanine at T= (288.15 to 318.15) K. The molar conductivity data were analyzed by low concentration Chemical Model (lcCM) and limiting molar conductivities ( ), ion association constants "(" "K" _"A" ) and standard Gibbs energies "(∆" "G" _"A" ^"°" ")" of the ion association process were calculated. The obtained values of and decrease with increase in the amino acid concentration. Moreover, the values of increase from glycine to L-alanine solutions due to the stronger solvation of the ions of [BMIm][Sal] by (COO− /NH3+) zwitterionic centers of glycine relative to L-alanine but this trend is vice versa for . The more negative values of "(∆" "G" _"A" ^"°" ")" for [BMIm][Sal] in glycine relative to L-alanine solutions is indicative of the more spontaneously and feasibility of the association process in this amino acid.}, keywords = {1-Butyl-3-methylimidazolium salicylate,Molar conductivity,Low concentration Chemical Model,Amino acids}, url = {https://www.physchemres.org/article_82153.html}, eprint = {https://www.physchemres.org/article_82153_881790abe43c73c86235955ba17beb12.pdf} }