Pub Date : 2022-06-01DOI: 10.1016/j.ctta.2022.100050
Darren Cappelli, Brian Glennon, Philip Donnellan
A feasibility analysis was performed on the use of a bubble column evaporator (BCE) as a solvent swap device. Batch BCE simulations successfully proved that the BCE was capable of performing a solvent swap for both the dcm - methanol and the water - methanol systems with the aid of computational fluid dynamics (CFD). This was achieved by saturating the inlet gas with the new solvent which condensed inside the column. The old solvent then evaporated into the gas phase which exited via the column outlet. Progression of the solvent swap therefore caused the liquid mass fraction of the species to vary. The effect of bubble size, gas flowrate, gas inlet temperature and liquid mass fraction on the solvent swap efficiency was also investigated. The liquid mass fraction was found to have the greatest influence on the solvent swap efficiency. The evaporation rate decreased proportionately with the mass fraction of the evaporating species in the liquid phase which was a result of Raoult’s law. The thermodynamic model was used to validate the CFD solution and estimate the time required for a batch solvent swap. A smaller bubble size was found to enhance mass transfer in the solvent swap by increasing the evaporation and condensation thermodynamic efficiencies. The higher gas flowrate also improved the mass transfer in the system and reduced the time required for a solvent swap as there was a greater throughput of gas, however it resulted in a decreased evaporation efficiency due to a lower gas residence time in the column. The higher gas inlet temperature increased the rate of condensation and the time required for the a solvent swap. The increased condensation of the new solvent had a negative effect on the evaporation of the old solvent as a result of raoults law which resulted in a longer solvent swap operation. The increased gas inlet temperature also caused the evaporation rate to decrease because of the relationship between the density of an ideal gas and temperature. An increased inlet gas temperature resulted in a lower inlet gas density. There was therefore a reduced mass throughput of gas into the column and consequentially the rate of evaporation decreased. The liquid mass fraction was found to have the greatest influence on the solvent swap efficiency. The evaporation rate decreased proportionately with the mass fraction of the evaporating species in the liquid phase which was a result of Raoult’s law.
{"title":"Feasibility analysis of using a bubble column evaporator as a solvent swap device","authors":"Darren Cappelli, Brian Glennon, Philip Donnellan","doi":"10.1016/j.ctta.2022.100050","DOIUrl":"10.1016/j.ctta.2022.100050","url":null,"abstract":"<div><p>A feasibility analysis was performed on the use of a bubble column evaporator (BCE) as a solvent swap device. Batch BCE simulations successfully proved that the BCE was capable of performing a solvent swap for both the dcm - methanol and the water - methanol systems with the aid of computational fluid dynamics (CFD). This was achieved by saturating the inlet gas with the new solvent which condensed inside the column. The old solvent then evaporated into the gas phase which exited via the column outlet. Progression of the solvent swap therefore caused the liquid mass fraction of the species to vary. The effect of bubble size, gas flowrate, gas inlet temperature and liquid mass fraction on the solvent swap efficiency was also investigated. The liquid mass fraction was found to have the greatest influence on the solvent swap efficiency. The evaporation rate decreased proportionately with the mass fraction of the evaporating species in the liquid phase which was a result of Raoult’s law. The thermodynamic model was used to validate the CFD solution and estimate the time required for a batch solvent swap. A smaller bubble size was found to enhance mass transfer in the solvent swap by increasing the evaporation and condensation thermodynamic efficiencies. The higher gas flowrate also improved the mass transfer in the system and reduced the time required for a solvent swap as there was a greater throughput of gas, however it resulted in a decreased evaporation efficiency due to a lower gas residence time in the column. The higher gas inlet temperature increased the rate of condensation and the time required for the a solvent swap. The increased condensation of the new solvent had a negative effect on the evaporation of the old solvent as a result of raoults law which resulted in a longer solvent swap operation. The increased gas inlet temperature also caused the evaporation rate to decrease because of the relationship between the density of an ideal gas and temperature. An increased inlet gas temperature resulted in a lower inlet gas density. There was therefore a reduced mass throughput of gas into the column and consequentially the rate of evaporation decreased. The liquid mass fraction was found to have the greatest influence on the solvent swap efficiency. The evaporation rate decreased proportionately with the mass fraction of the evaporating species in the liquid phase which was a result of Raoult’s law.</p></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"6 ","pages":"Article 100050"},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667312622000177/pdfft?md5=84048e432f98842bfc6daaf63b1c8c78&pid=1-s2.0-S2667312622000177-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83555339","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-06-01DOI: 10.1016/j.ctta.2022.100044
Saikat Pal, Rajib Kumar Mitra
Addition of macromolecular crowders to biomolecules can mimic the interior of living cells, however, it is not always very evident whether the effect is general or dependent on the biomolecule-crowder pair specificity. In this study, we investigate the effect of nonpolar hydrophobic amino acids (Glycine, L-alanine, L-valine, L-leucine, L-isoleucine) as crowding agents on the structural and thermal stability of three proteins: human serum albumin (HSA), lysozyme (HEWL) and Ribonuclease-A (RNase-A) of varying α-helical content using temperature dependent circular dichroism (CD) spectroscopic technique. It has been observed that all these five amino acids do not substantially alter the secondary structure of proteins rather they stabilize their respective native forms. Thermal unfolding of each protein is found to be irreversible in nature with the extent of secondary structural loss during refolding being proportional to the α-helicity of the protein. Estimated thermodynamic parameters (van't Hoff enthalpy and heat capacity) show that enthalpic stabilization is protein specific and the added amino acids alter these parameters in different extent without following any specific trend. Our study affirms that conformational stability of proteins and the associated thermodynamic parameters do not necessarily bear a linear correlation with the hydrophobicity of amino acids; rather it is protein specific where the secondary structural content plays an important role.
{"title":"Investigation on the effect of nonpolar amino acids as macromolecular crowders on the stability of globular proteins","authors":"Saikat Pal, Rajib Kumar Mitra","doi":"10.1016/j.ctta.2022.100044","DOIUrl":"10.1016/j.ctta.2022.100044","url":null,"abstract":"<div><p>Addition of macromolecular crowders to biomolecules can mimic the interior of living cells, however, it is not always very evident whether the effect is general or dependent on the biomolecule-crowder pair specificity. In this study, we investigate the effect of nonpolar hydrophobic amino acids (Glycine, L-alanine, L-valine, L-leucine, L-isoleucine) as crowding agents on the structural and thermal stability of three proteins: human serum albumin (HSA), lysozyme (HEWL) and Ribonuclease-A (RNase-A) of varying α-helical content using temperature dependent circular dichroism (CD) spectroscopic technique. It has been observed that all these five amino acids do not substantially alter the secondary structure of proteins rather they stabilize their respective native forms. Thermal unfolding of each protein is found to be irreversible in nature with the extent of secondary structural loss during refolding being proportional to the α-helicity of the protein. Estimated thermodynamic parameters (van't Hoff enthalpy and heat capacity) show that enthalpic stabilization is protein specific and the added amino acids alter these parameters in different extent without following any specific trend. Our study affirms that conformational stability of proteins and the associated thermodynamic parameters do not necessarily bear a linear correlation with the hydrophobicity of amino acids; rather it is protein specific where the secondary structural content plays an important role.</p></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"6 ","pages":"Article 100044"},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667312622000116/pdfft?md5=1a933483fc68906adb6a985972f4bc1d&pid=1-s2.0-S2667312622000116-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82758296","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-06-01DOI: 10.1016/j.ctta.2022.100037
G.V.N. Trivedi, R. Parameshwaran
The present study reports the encapsulation of dimethyl adipate into a polymer shell using in-situ polymerisation. Surface morphology, crystal structure, chemical stability, and thermal properties are characterised using various analytical methods and experimentally investigated. The surface morphology has shown excellent sphericity with a mean particle diameter of 900 nm. The measured enthalpy was 80.2 J/g, with the onset and peak melting temperatures are 6.4 °C and 9.6 °C, respectively. The calculated specific heat capacities of encapsulated dimethyl adipate are around 1.7 J/g.K and 2.3 J/g.K for solid and liquid states, respectively. Furthermore, thermal cycling performance was obtained as 95.3% after 100 thermal cycles. These capsules dispersed into the base fluid (deionized double distilled water) in appropriate proportions for the preparation of micro/nanoencapsulated phase change material slurries (MNPCMS). The prepared slurries have shown a marginal increase in viscosity compared to the base fluid. Therefore, the test results signified that the prepared MNPCMS can be considered as a potential candidate for cool thermal energy storage applications.
{"title":"Micro/nanoencapsulation of dimethyl adipate with melamine formaldehyde shell as phase change material slurries for cool thermal energy storage","authors":"G.V.N. Trivedi, R. Parameshwaran","doi":"10.1016/j.ctta.2022.100037","DOIUrl":"10.1016/j.ctta.2022.100037","url":null,"abstract":"<div><p>The present study reports the encapsulation of dimethyl adipate into a polymer shell using in-situ polymerisation. Surface morphology, crystal structure, chemical stability, and thermal properties are characterised using various analytical methods and experimentally investigated. The surface morphology has shown excellent sphericity with a mean particle diameter of 900 nm. The measured enthalpy was 80.2 J/g, with the onset and peak melting temperatures are 6.4 °C and 9.6 °C, respectively. The calculated specific heat capacities of encapsulated dimethyl adipate are around 1.7 J/g.K and 2.3 J/g.K for solid and liquid states, respectively. Furthermore, thermal cycling performance was obtained as 95.3% after 100 thermal cycles. These capsules dispersed into the base fluid (deionized double distilled water) in appropriate proportions for the preparation of micro/nanoencapsulated phase change material slurries (MNPCMS). The prepared slurries have shown a marginal increase in viscosity compared to the base fluid. Therefore, the test results signified that the prepared MNPCMS can be considered as a potential candidate for cool thermal energy storage applications.</p></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"6 ","pages":"Article 100037"},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667312622000049/pdfft?md5=588258d13813ae706e924e494d16729d&pid=1-s2.0-S2667312622000049-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85575942","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-06-01DOI: 10.1016/j.ctta.2022.100056
Andaç Batur Çolak
In this study, the viscous dissipation effects of copper-polyvinyl alcohol (Cu-PVA) Jeffrey nanofluid on magnetohydrodynamic (MHD) heat transfer flow across a stretchable surface have been analyzed with an artificial intelligence approach. The flow parameters, skin friction and Nusselt number, are numerically obtained with a closed Keller-box and partial differential equations converted to a non-linear ordinary differential equation system using the appropriate similarity transformation. Using the obtained data set, two different artificial neural network (ANN) models have been developed. In the multi-layer perceptron (MLP) network model developed with Bayesian Regularization training algorithm, solid volume fraction (φ), Deborah number (β), magnetic parameter (M), Prandtl number (Pr) and Eckert number (Ec) values have been defined as input parameters and skin friction and Nusselt number values have been obtained in the output layer. R values for skin friction and Nusselt number have been calculated as 0.99020 and 0.99394, respectively. The study findings show that the developed ANN model can predict with high accuracy and is a high-performance engineering tool that can be used in modeling viscous dissipation effects.
{"title":"Prediction of viscous dissipation effects on magnetohydrodynamic heat transfer flow of copper-poly vinyl alcohol Jeffrey nanofluid through a stretchable surface using artificial neural network with Bayesian Regularization","authors":"Andaç Batur Çolak","doi":"10.1016/j.ctta.2022.100056","DOIUrl":"10.1016/j.ctta.2022.100056","url":null,"abstract":"<div><p>In this study, the viscous dissipation effects of copper-polyvinyl alcohol (Cu-PVA) Jeffrey nanofluid on magnetohydrodynamic (MHD) heat transfer flow across a stretchable surface have been analyzed with an artificial intelligence approach. The flow parameters, skin friction and Nusselt number, are numerically obtained with a closed Keller-box and partial differential equations converted to a non-linear ordinary differential equation system using the appropriate similarity transformation. Using the obtained data set, two different artificial neural network (ANN) models have been developed. In the multi-layer perceptron (MLP) network model developed with Bayesian Regularization training algorithm, solid volume fraction (φ), Deborah number (β), magnetic parameter (M), Prandtl number (Pr) and Eckert number (Ec) values have been defined as input parameters and skin friction and Nusselt number values have been obtained in the output layer. R values for skin friction and Nusselt number have been calculated as 0.99020 and 0.99394, respectively. The study findings show that the developed ANN model can predict with high accuracy and is a high-performance engineering tool that can be used in modeling viscous dissipation effects.</p></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"6 ","pages":"Article 100056"},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667312622000232/pdfft?md5=c19a7e598b0f7b25efbf1276fde51d60&pid=1-s2.0-S2667312622000232-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89962702","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-06-01DOI: 10.1016/j.ctta.2022.100047
Guijin He , Shun Li , Xiaolin Zhao , Jianmeng Cen , Kaige Wang , Yongsheng Guo , Wenjun Fang
Nowadays, a series of hyperbranched polymers have been developed as macroinitiators for hydrocarbon fuels. These macroinitiators are helpful to enhance the heat sink capability of endothermic hydrocarbon fuels to meet the great demand for thermal management when applied on a hypersonic or supersonic aircraft. An amphiphilic hyperbranched polyglycerol, DSHPG, has been studied when used as a novel macroinitiator. In this work, the thermal decomposition of DSHPG is investigated in detail to explore the pyrolysis mechanism of DSHPG based on the construction of mathematical models. The mathematical models are obtained from the thermal gravity analyses of DSHPG to predict the decomposition process of DSHPG and the kinetic parameters, such as activation energy and pre-exponential factor. Furthermore, the decomposition paths including possible radical reactions of DSHPG are proposed based on the qualitative investigation about the pyrolytic products detected from a pyrolysis-GC/MS apparatus. These results offer a detailed insight on the thermal decomposition of DSHPG to explore how the DSHPG functions as the macroinitiator for endothermic hydrocarbon fuels at high temperatures.
{"title":"Thermal decomposition behaviors of an amphiphilic macroinitiator DSHPG for hydrocarbon fuel","authors":"Guijin He , Shun Li , Xiaolin Zhao , Jianmeng Cen , Kaige Wang , Yongsheng Guo , Wenjun Fang","doi":"10.1016/j.ctta.2022.100047","DOIUrl":"10.1016/j.ctta.2022.100047","url":null,"abstract":"<div><p>Nowadays, a series of hyperbranched polymers have been developed as macroinitiators for hydrocarbon fuels. These macroinitiators are helpful to enhance the heat sink capability of endothermic hydrocarbon fuels to meet the great demand for thermal management when applied on a hypersonic or supersonic aircraft. An amphiphilic hyperbranched polyglycerol, DSHPG, has been studied when used as a novel macroinitiator. In this work, the thermal decomposition of DSHPG is investigated in detail to explore the pyrolysis mechanism of DSHPG based on the construction of mathematical models. The mathematical models are obtained from the thermal gravity analyses of DSHPG to predict the decomposition process of DSHPG and the kinetic parameters, such as activation energy and pre-exponential factor. Furthermore, the decomposition paths including possible radical reactions of DSHPG are proposed based on the qualitative investigation about the pyrolytic products detected from a pyrolysis-GC/MS apparatus. These results offer a detailed insight on the thermal decomposition of DSHPG to explore how the DSHPG functions as the macroinitiator for endothermic hydrocarbon fuels at high temperatures.</p></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"6 ","pages":"Article 100047"},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667312622000141/pdfft?md5=a8f511086392a236f0fceb7c746fc714&pid=1-s2.0-S2667312622000141-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82350961","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-06-01DOI: 10.1016/j.ctta.2022.100035
Baojuan Jiao , Qi Yang , Sanping Chen
Based on the excellent energetic ligand of N, N-bis(1H-tetrazole-5-yl)-amine (H2bta) and coligand of oxalic acid (oa), Cu(Ⅱ) as the metal center ion, a new energetic coordination polymer (ECP), {[Cu2(bta)2(oa)(H2O)2]∙4H2O}n (1), was synthesized by hydrothermal method. Single crystal X-ray diffraction indicates that 1 possess 3D supramolecular configuration. Due to the existence of a large number of lattice water and coordination water molecules in 1, however, the effective energy density of 1 is limited. To further improve the performance of 1, according to its thermal decomposition behavior, we dehydrated 1 at 280 °C to obtain a new ECP [Cu2(bta)2(oa)]n (2). The thermodynamic parameter of the decomposition process of 1 was discussed by Kissinger's and Ozawa's methods. Sensitivity tests show that 2 is more sensitivity to impact stimuli than 1, reflecting guest-dependent energy and sensitivity of ECPs. The theoretical calculation results show that 1 possess good detonation performances. The promotion effects of two ECPs on the combustion decomposition of ammonium perchlorate were studied using a differential scanning calorimetry method. Experimental results showed that 1 and 2 can be used as high energy density materials in the field of combustion promoter and the insensitive 1 can be regarded as a safe form for mass storge and transportation of sensitive 2.
{"title":"Improved oxygen balance and effective energy density by coligand and dehydration strategy: Synthesis and characterization of two new energetic coordination polymers","authors":"Baojuan Jiao , Qi Yang , Sanping Chen","doi":"10.1016/j.ctta.2022.100035","DOIUrl":"10.1016/j.ctta.2022.100035","url":null,"abstract":"<div><p>Based on the excellent energetic ligand of <em>N, N</em>-bis(1<em>H</em>-tetrazole-5-yl)-amine (H<sub>2</sub>bta) and coligand of oxalic acid (oa), Cu(Ⅱ) as the metal center ion, a new energetic coordination polymer (ECP), {[Cu<sub>2</sub>(bta)<sub>2</sub>(oa)(H<sub>2</sub>O)<sub>2</sub>]∙4H<sub>2</sub>O}<sub>n</sub> (<strong>1</strong>), was synthesized by hydrothermal method. Single crystal X-ray diffraction indicates that <strong>1</strong> possess 3D supramolecular configuration. Due to the existence of a large number of lattice water and coordination water molecules in <strong>1</strong>, however, the effective energy density of <strong>1</strong> is limited. To further improve the performance of <strong>1</strong>, according to its thermal decomposition behavior, we dehydrated <strong>1</strong> at 280 °C to obtain a new ECP [Cu<sub>2</sub>(bta)<sub>2</sub>(oa)]<sub>n</sub> (<strong>2</strong>). The thermodynamic parameter of the decomposition process of 1 was discussed by Kissinger's and Ozawa's methods. Sensitivity tests show that <strong>2</strong> is more sensitivity to impact stimuli than <strong>1</strong>, reflecting guest-dependent energy and sensitivity of ECPs. The theoretical calculation results show that <strong>1</strong> possess good detonation performances. The promotion effects of two ECPs on the combustion decomposition of ammonium perchlorate were studied using a differential scanning calorimetry method. Experimental results showed that <strong>1</strong> and <strong>2</strong> can be used as high energy density materials in the field of combustion promoter and the insensitive <strong>1</strong> can be regarded as a safe form for mass storge and transportation of sensitive <strong>2</strong>.</p></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"6 ","pages":"Article 100035"},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667312622000025/pdfft?md5=18f03992349e6d28c161a2b9bf843cdd&pid=1-s2.0-S2667312622000025-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72738881","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-06-01DOI: 10.1016/j.ctta.2022.100036
Abbas Shahrabadi , Allahyar Daghbandan , Mohsen Arabiyoun
Nowadays, the application of materials, such as surfactants and nanoparticles in enhanced oil recovery (EOR) projects has been widely studied. So, the adsorption process of these substances is one of the important methods to increase the oil recovery factor from carbonate oil reservoirs. However, understanding how the surfactant-nanoparticle combination interacts through the adsorption process onto the carbonate reservoir rocks surface is not well discussed. In this paper, the adsorption process of saponin extracted from the Glycyrrhiza glabra plant as a natural non-ionic surfactant (GG surfactant) with the presence of hydrophilic titanium dioxide nanoparticles (HITNPs) onto the carbonate reservoir rock (adsorbent) surface has been investigated for mobilizing the crude oil remaining to increase the oil recovery factor. Hence, this study highlights the equilibrium adsorption rate and the adsorption kinetics of these materials in aqueous solutions for chemical EOR schemes. Also, analyses of X-ray diffraction (XRD) spectrometry, scanning electron microscopy (SEM), and Fourier transform infrared (FTIR) spectroscopy have been applied to confirm and determine the physicochemical changes and properties of materials. To evaluate the adsorption rate and the relationship between surfactant concentration with the presence of nanoparticles and adsorption density on the adsorbent surface in the aqueous phase, batch adsorption tests under atmospheric conditions at different concentrations and times have been used to comprehend the impact of adsorbate dose on the sorption efficiency. Therefore, the electrical conductivity (EC) technique was used for measuring the adsorption rate of surfactant with the presence of HITNPs in the aqueous phase on the adsorbent surface. The adsorption kinetics process was experimentally investigated at laboratory temperature (25 °C) by monitoring the uptake of solutions on the adsorbent surface as a function of time. The experimental adsorption data were also examined by different equilibrium and kinetic models of adsorption. Hence, the adsorption parameters were determined for each model. Langmuir isotherm was the best model according to the higher values of the correlation coefficient (R2) for GG surfactant and surfactant nanofluid solutions on the adsorbent surface. Furthermore, the pseudo-second-order kinetic model could satisfactorily estimate the adsorption kinetics of GG surfactant and surfactant nanofluid solutions on the adsorbent surface. Results indicated that the adsorption process of GG surfactant and surfactant nanofluid solutions on the adsorbent surface is characterized by a short period of rapid adsorption, followed by a long period of slower adsorption. Moreover, the results of the IFT experiment of these materials showed that GG surfactant and surfactant nanofluid solutions could significantly reduce the IFT value between oil and water system. Finally, the results obtained from this study can h
{"title":"Experimental investigation of the adsorption process of the surfactant-nanoparticle combination onto the carbonate reservoir rock surface in the enhanced oil recovery (EOR) process","authors":"Abbas Shahrabadi , Allahyar Daghbandan , Mohsen Arabiyoun","doi":"10.1016/j.ctta.2022.100036","DOIUrl":"https://doi.org/10.1016/j.ctta.2022.100036","url":null,"abstract":"<div><p>Nowadays, the application of materials, such as surfactants and nanoparticles in enhanced oil recovery (EOR) projects has been widely studied. So, the adsorption process of these substances is one of the important methods to increase the oil recovery factor from carbonate oil reservoirs. However, understanding how the surfactant-nanoparticle combination interacts through the adsorption process onto the carbonate reservoir rocks surface is not well discussed. In this paper, the adsorption process of saponin extracted from the Glycyrrhiza glabra plant as a natural non-ionic surfactant (GG surfactant) with the presence of hydrophilic titanium dioxide nanoparticles (HITNPs) onto the carbonate reservoir rock (adsorbent) surface has been investigated for mobilizing the crude oil remaining to increase the oil recovery factor. Hence, this study highlights the equilibrium adsorption rate and the adsorption kinetics of these materials in aqueous solutions for chemical EOR schemes. Also, analyses of X-ray diffraction (XRD) spectrometry, scanning electron microscopy (SEM), and Fourier transform infrared (FTIR) spectroscopy have been applied to confirm and determine the physicochemical changes and properties of materials. To evaluate the adsorption rate and the relationship between surfactant concentration with the presence of nanoparticles and adsorption density on the adsorbent surface in the aqueous phase, batch adsorption tests under atmospheric conditions at different concentrations and times have been used to comprehend the impact of adsorbate dose on the sorption efficiency. Therefore, the electrical conductivity (EC) technique was used for measuring the adsorption rate of surfactant with the presence of HITNPs in the aqueous phase on the adsorbent surface. The adsorption kinetics process was experimentally investigated at laboratory temperature (25 °C) by monitoring the uptake of solutions on the adsorbent surface as a function of time. The experimental adsorption data were also examined by different equilibrium and kinetic models of adsorption. Hence, the adsorption parameters were determined for each model. Langmuir isotherm was the best model according to the higher values of the correlation coefficient (R<sup>2</sup>) for GG surfactant and surfactant nanofluid solutions on the adsorbent surface. Furthermore, the pseudo-second-order kinetic model could satisfactorily estimate the adsorption kinetics of GG surfactant and surfactant nanofluid solutions on the adsorbent surface. Results indicated that the adsorption process of GG surfactant and surfactant nanofluid solutions on the adsorbent surface is characterized by a short period of rapid adsorption, followed by a long period of slower adsorption. Moreover, the results of the IFT experiment of these materials showed that GG surfactant and surfactant nanofluid solutions could significantly reduce the IFT value between oil and water system. Finally, the results obtained from this study can h","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"6 ","pages":"Article 100036"},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667312622000037/pdfft?md5=108d1e39774d5f21243135ae2b8e74ae&pid=1-s2.0-S2667312622000037-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"137364948","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-06-01DOI: 10.1016/j.ctta.2022.100059
Leslie Glasser
The electrostatic interaction among a neutral and finite set of point charges is based on the sum of their pairwise charge products, , yet many analyses yield terms which simply contain a sum of the squares of the separate charges, corresponding to the ionic strength, ½.
This submission collects together a number of important instances of this result and explains their equivalence. In effect, the ionic strength-like terms provide conveniently calculated coulomb sums for systems with finite collections of charges.
{"title":"The Equivalence of the Charge Interaction Sum and the Ionic Strength","authors":"Leslie Glasser","doi":"10.1016/j.ctta.2022.100059","DOIUrl":"10.1016/j.ctta.2022.100059","url":null,"abstract":"<div><p>The electrostatic interaction among a neutral and finite set of point charges is based on the sum of their <em>pairwise</em> charge products, <span><math><mrow><msub><mi>z</mi><mi>i</mi></msub><msub><mi>z</mi><mi>j</mi></msub></mrow></math></span>, yet many analyses yield terms which simply contain a sum of the squares of the <em>separate</em> charges, corresponding to the ionic strength, ½<span><math><mrow><mo>∑</mo><mrow><msub><mi>m</mi><mi>i</mi></msub><msubsup><mi>z</mi><mi>i</mi><mn>2</mn></msubsup></mrow></mrow></math></span>.</p><p>This submission collects together a number of important instances of this result and explains their equivalence. In effect, the ionic strength-like terms provide conveniently calculated coulomb sums for systems with finite collections of charges.</p></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"6 ","pages":"Article 100059"},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667312622000256/pdfft?md5=2e07020fb2a88a9e443022e74fff3149&pid=1-s2.0-S2667312622000256-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91251592","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-06-01DOI: 10.1016/j.ctta.2022.100046
Marwan Al-Raeei
The bulk modulus is a significant coefficient for the study of the compressible behaviour of the materials in the bulk case. The bulk moduli can be determined via the experimental method by measuring of the elastic parameters, via the semi-empirical procedures from the equation of state, or from theoretical images as in the theory of the integral equations. In this work we find a relationship of the bulk modulus for the Morse interaction potential employing the Fourier transformation and the mean-spherical approximation for the Morse interaction. We find that the bulk modulus of the Morse potential is composed of two terms, one from the kinetic part, and the other from the internal interaction of the particles composing the described-system. We find that the bulk modulus of the Morse interaction depends on the absolute temperature of the described composition and the compact factor. Besides, we find that the Bulk modulus formula which we derived of Morse potential, depends on the diameter of the particles in the system, and depends on the Morse interaction parameters. The formula which we derive is, in general, applied for the systems described by the Morse interaction in the vibrational case such as the hydrogen chloride and hydrogen fluoride molecules.
{"title":"Bulk modulus for Morse potential interaction with the distribution function based","authors":"Marwan Al-Raeei","doi":"10.1016/j.ctta.2022.100046","DOIUrl":"10.1016/j.ctta.2022.100046","url":null,"abstract":"<div><p>The bulk modulus is a significant coefficient for the study of the compressible behaviour of the materials in the bulk case. The bulk moduli can be determined via the experimental method by measuring of the elastic parameters, via the semi-empirical procedures from the equation of state, or from theoretical images as in the theory of the integral equations. In this work we find a relationship of the bulk modulus for the Morse interaction potential employing the Fourier transformation and the mean-spherical approximation for the Morse interaction. We find that the bulk modulus of the Morse potential is composed of two terms, one from the kinetic part, and the other from the internal interaction of the particles composing the described-system. We find that the bulk modulus of the Morse interaction depends on the absolute temperature of the described composition and the compact factor. Besides, we find that the Bulk modulus formula which we derived of Morse potential, depends on the diameter of the particles in the system, and depends on the Morse interaction parameters. The formula which we derive is, in general, applied for the systems described by the Morse interaction in the vibrational case such as the hydrogen chloride and hydrogen fluoride molecules.</p></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"6 ","pages":"Article 100046"},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S266731262200013X/pdfft?md5=cb93761d5d766b1a8730093f67fce911&pid=1-s2.0-S266731262200013X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83388885","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-06-01DOI: 10.1016/j.ctta.2022.100045
P. Sudarsana Reddy , P. Sreedevi , V. Nageswara Reddy
Combination of and based nanofluid flow, isentropic lines and isotherms features inside a square enclosure with radiation and magnetic field is examined numerically in the current article. The dimensionless equations representing entropy generation, heat and momentum are solved numerically by applying finite difference scheme. The changes in the sketches of isotherms, streamlines and isentropic fields with dissimilar values of radiation parameter , volume fraction of nanoparticle parameter , Rayleigh number , Prandtl number and magnetic parameter have scrutinized and are plotted through sketches. The scatterings of rates of heat transfer with respect to these parameters are also depicted through graphs. Non – dimensional rates of heat transfer intensifies in the nanofluid region with augmenting values of radiation parameter. The sketches of temperature lines of based nanofluid lost their nature in the central part of the chamber and they are virtually vertical shape close to the right cold wall as the values of volume fraction of carbon nanotubes rises. 7.2% augmentation in heat transfer rate is noticed when 4% volume fraction of MWCNTs are added to the base fluid .
{"title":"Entropy generation and heat transfer analysis of magnetic nanofluid flow inside a square cavity filled with carbon nanotubes","authors":"P. Sudarsana Reddy , P. Sreedevi , V. Nageswara Reddy","doi":"10.1016/j.ctta.2022.100045","DOIUrl":"10.1016/j.ctta.2022.100045","url":null,"abstract":"<div><p>Combination of <span><math><mrow><mtext>MWCNTs</mtext><mspace></mspace></mrow></math></span>and<span><math><mrow><mspace></mspace><mtext>water</mtext></mrow></math></span> based nanofluid flow, isentropic lines and isotherms features inside a square enclosure with radiation and magnetic field is examined numerically in the current article. The dimensionless equations representing entropy generation, heat and momentum are solved numerically by applying finite difference scheme. The changes in the sketches of isotherms, streamlines and isentropic fields with dissimilar values of radiation parameter <span><math><mrow><mo>(</mo><mrow><mn>0.01</mn><mo>≤</mo><mi>R</mi><mo>≤</mo><mn>0.1</mn></mrow><mo>)</mo></mrow></math></span>, volume fraction of nanoparticle parameter <span><math><mrow><mo>(</mo><mrow><mn>0.01</mn><mo>≤</mo><mi>ϕ</mi><mo>≤</mo><mn>0.1</mn></mrow><mo>)</mo></mrow></math></span>, Rayleigh number <span><math><mrow><mo>(</mo><mrow><msup><mrow><mn>10</mn></mrow><mn>3</mn></msup><mo>≤</mo><mtext>Ra</mtext><mo>≤</mo><msup><mrow><mn>10</mn></mrow><mn>4</mn></msup></mrow><mo>)</mo></mrow></math></span>, Prandtl number <span><math><mrow><mo>(</mo><mrow><mn>5.2</mn><mo>≤</mo><mtext>Pr</mtext><mo>≤</mo><mn>8.2</mn></mrow><mo>)</mo></mrow></math></span> and magnetic parameter <span><math><mrow><mo>(</mo><mrow><mn>0.1</mn><mo>≤</mo><mi>M</mi><mo>≤</mo><mn>0.7</mn></mrow><mo>)</mo></mrow></math></span> have scrutinized and are plotted through sketches. The scatterings of rates of heat transfer with respect to these parameters are also depicted through graphs. Non – dimensional rates of heat transfer intensifies in the nanofluid region with augmenting values of radiation parameter. The sketches of temperature lines of <span><math><mrow><mrow><mtext>water</mtext><mspace></mspace></mrow><mo>−</mo><mo>−</mo><mrow><mspace></mspace><mtext>MWCNTs</mtext></mrow></mrow></math></span> based nanofluid lost their nature in the central part of the chamber and they are virtually vertical shape close to the right cold wall as the values of volume fraction of carbon nanotubes rises. 7.2% augmentation in heat transfer rate is noticed when 4% volume fraction of MWCNTs are added to the base fluid .</p></div>","PeriodicalId":9781,"journal":{"name":"Chemical Thermodynamics and Thermal Analysis","volume":"6 ","pages":"Article 100045"},"PeriodicalIF":0.0,"publicationDate":"2022-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667312622000128/pdfft?md5=77825385d84d20eb3dae92fde3ca4403&pid=1-s2.0-S2667312622000128-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74624683","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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