Chemical Engineering Science: X最新文献_第9页

Solvent impact assessment for the “One-Flow Functional Solvent Factory” “一流程功能溶剂工厂”的溶剂影响评价

Chemical Engineering Science: X Pub Date : 2019-08-01 Epub Date: 2019-04-19 DOI: 10.1016/j.cesx.2019.100024

O.M. Morales-Gonzalez , C. Zhang , S. Li , V. Hessel

{"title":"Solvent impact assessment for the “One-Flow Functional Solvent Factory”","authors":"O.M. Morales-Gonzalez , C. Zhang , S. Li , V. Hessel","doi":"10.1016/j.cesx.2019.100024","DOIUrl":"10.1016/j.cesx.2019.100024","url":null,"abstract":"<div><p>In the ONE-FLOW project, the concept of a “Functional Solvent Factory” is proposed, in which designer and conventional solvents are used to transform a multiphase system into a single phase system. This change of phases is alike to the creation and the disruption of compartmented spaces, which will be used for conducting multi-step reactions in a continuous flow. Due to the large availability to a great number of solvents, it is imperative to make a holistic solvent selection. Selection which must be in line with the environmental targets of the pharmaceutical industry. Herein, it is elaborated a methodology to assess common and neoteric solvents for its application in the Functional Solvent Factory. Solubility is taken as the main criterion for the assessment in the Functional Solvent Factory case; however, the solubility of a chemical in a particular solvent is not always known. Therefore, a method to circumvent the lack of solubility data, from an environmental perspective, is proposed. Afterwards, the methodology is applied to assess common solvents. The assessment considered economic and safety constraints. Decan-1-oic acid and 2-octanone were found to be the best solvents for the cascade selected. Thereafter, the environmental assessment showed that Decan-1-oic acid is the best option for the cascade. The aim of this methodology was also to include and compare ionic liquids with conventional solvents, and find the most sustainable option. Applying the methodology to compare an ionic liquid with a conventional solvent was found that the environmental impact of an ionic liquid can be lower to that of a conventional solvent. This is possible when the compound of interest has a higher solubility in the ionic liquid compared with the conventional solvent.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"3 ","pages":"Article 100024"},"PeriodicalIF":0.0,"publicationDate":"2019-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100024","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48315494","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}

引用次数: 5

A mechanistic model for oil recovery in a region of high oil droplet concentration from multiphasic fermentations 多相发酵高油滴浓度区域采油机理模型

Chemical Engineering Science: X Pub Date : 2019-08-01 DOI: 10.1016/j.cesx.2019.100033

Rita M. Da Costa Basto , Maria P. Casals , Robert F. Mudde , Luuk A.M. van der Wielen , Maria C. Cuellar

{"title":"A mechanistic model for oil recovery in a region of high oil droplet concentration from multiphasic fermentations","authors":"Rita M. Da Costa Basto , Maria P. Casals , Robert F. Mudde , Luuk A.M. van der Wielen , Maria C. Cuellar","doi":"10.1016/j.cesx.2019.100033","DOIUrl":"10.1016/j.cesx.2019.100033","url":null,"abstract":"<div><p>Multiphasic fermentations where an organic phase is spontaneously formed or when it is added for product removal are commonly used for production of valuable compounds. The turbulent conditions and the presence of surface-active compounds (SACs) during fermentation create a stable emulsion difficult to separate. A gas bubble/oil droplet separation method has been proposed to break such emulsion. In this paper, we propose a mathematical model to describe oil/bubble interaction in a region of high oil droplet concentration. Model validation was performed using a synthetic emulsion and an emulsion from a fermentation broth. By applying the optimal parameters predicted by the model, a 6- and 3-times oil recovery improvement was reached for the synthetic emulsion and the fermentation broth, respectively. In conclusion, the proposed mechanistic model allowed to improve oil recovery in the existing laboratory set-up, and can be used to optimize the separation and recovery method at large scale.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"3 ","pages":"Article 100033"},"PeriodicalIF":0.0,"publicationDate":"2019-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100033","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42108120","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}

引用次数: 7

A five-parameter cubic equation of state for pure fluids and mixtures 纯流体和混合物的五参数三次状态方程

Chemical Engineering Science: X Pub Date : 2019-08-01 Epub Date: 2019-05-07 DOI: 10.1016/j.cesx.2019.100026

Pradnya N.P. Ghoderao , Vishwanath H. Dalvi , Mohan Narayan

{"title":"A five-parameter cubic equation of state for pure fluids and mixtures","authors":"Pradnya N.P. Ghoderao , Vishwanath H. Dalvi , Mohan Narayan","doi":"10.1016/j.cesx.2019.100026","DOIUrl":"10.1016/j.cesx.2019.100026","url":null,"abstract":"<div><p>A five parameter cubic equation of state, named 5PGDN is presented for the prediction of thermodynamic properties of pure fluids and mixtures. A new alpha function is proposed with two compound specific parameters which are estimated by matching experimental saturation vapor pressure data at two fixed temperatures <span><math><mrow><msub><mi>T</mi><mi>r</mi></msub><mo>=</mo><mn>0.5</mn><mo>,</mo><mn>0.7</mn></mrow></math></span>. We have cast three of the five parameters in terms of the remaining two parameters. The 5PGDN uses the critical temperature, the critical pressure, the critical compressibility factor, and two parameters of the alpha function to calculate thermodynamic properties such as saturated vapor pressure, liquid and vapor density, enthalpy of vaporization, sound velocity, heat capacity at constant pressure and volume. The 5PGDN is further used for the prediction of bubble point pressure and vapor mole fraction of several binary mixtures. The accuracy of 5PGDN is demonstrated by comparing results with the Patel-Teja (PT), Haghtalab-Kamali-Mazloumi-Mahmoodi (HKM1) and Ghoderao-Dalvi-Narayan (4PGDN1) equations of state.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"3 ","pages":"Article 100026"},"PeriodicalIF":0.0,"publicationDate":"2019-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100026","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42808835","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}

引用次数: 20

Model-based optimization of integrated purification sequences for biopharmaceuticals 基于模型的生物制药集成纯化序列优化

Chemical Engineering Science: X Pub Date : 2019-08-01 Epub Date: 2019-05-07 DOI: 10.1016/j.cesx.2019.100025

Silvia M. Pirrung , Carmen Berends , Antoon H. Backx , Ruud F.W.C. van Beckhoven , Michel H.M. Eppink , Marcel Ottens

{"title":"Model-based optimization of integrated purification sequences for biopharmaceuticals","authors":"Silvia M. Pirrung , Carmen Berends , Antoon H. Backx , Ruud F.W.C. van Beckhoven , Michel H.M. Eppink , Marcel Ottens","doi":"10.1016/j.cesx.2019.100025","DOIUrl":"10.1016/j.cesx.2019.100025","url":null,"abstract":"<div><p>Finding the best purification process is a challenging task. Recently, mechanistic models that can accelerate the development of chromatographic unit operations, the most important purification units, became widely available. In previous work, several chromatographic models have been linked together to simulate and optimize integrated processes. However, considering only chromatographic steps may lead to a suboptimal process. Consequently, the aim of this study was to include models for ultra- and diafiltration units into the optimization approach to account for buffer exchange steps before or between chromatography units. This approach was applied to an industrial case, the purification of a monoclonal antibody, where cation exchange, hydrophobic interaction and mixed mode were the possible chromatographic separation modes. It turned out that only the duration of the total filtration step and the duration of the ultrafiltration step were crucial variables for the optimization of the ultra- and diafiltration steps. The ‘best’ in silico purification process was found based on the performance criteria yield and solvent usage. The purity was required to be at least 99.9%.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"3 ","pages":"Article 100025"},"PeriodicalIF":0.0,"publicationDate":"2019-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100025","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44909158","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}

引用次数: 8

Stable core-annular horizontal flows in inaccessible domains via a triple-layer configuration 通过三层结构，稳定的岩心-环空水平流动

Chemical Engineering Science: X Pub Date : 2019-08-01 Epub Date: 2019-06-19 DOI: 10.1016/j.cesx.2019.100028

Parisa Sarmadi , Ian A. Frigaard

{"title":"Stable core-annular horizontal flows in inaccessible domains via a triple-layer configuration","authors":"Parisa Sarmadi , Ian A. Frigaard","doi":"10.1016/j.cesx.2019.100028","DOIUrl":"10.1016/j.cesx.2019.100028","url":null,"abstract":"<div><p>Recently we have introduced a novel methodology for efficient transport of heavy oil via a triple-layer core-annular flow. Pumping pressures are significantly reduced by concentrating high shear rates to a lubricating layer, while ideas from visco-plastic lubrication were used to eliminate the possibility of interfacial instabilities. Specifically, we purposefully position a shaped unyielded skin of a visco-plastic fluid between the transported oil and the lubricating fluid layer. The shaping of the skin layer allows for lubrication forces to develop as the core settles under the action of transverse buoyancy forces: adopting an eccentric position where buoyancy and lubrication forces balance. In later work we have explained how to sculpt the interface in a stable controlled way to achieve a desired shape. Here we show an explicit advantage of the proposed method: namely that we are able to produce stable core-annular flows in regimes where conventional core-annular flows are unsuitable, i.e. either dispersed phases or instability result. Essentially the method can give stable flows for a very wide range of fluid input ratio, although not all will produce the desired reduction in frictional pressure losses.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"3 ","pages":"Article 100028"},"PeriodicalIF":0.0,"publicationDate":"2019-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100028","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48206896","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}

引用次数: 6

Kinetics of CO2 absorption into aqueous solutions of 3-dimethylamino-1-propanol and 1-(2-hydroxyethyl)pyrrolidine in the blend with 3-(methylamino)propylamine 3-(甲氨基)丙胺共混物中CO2在3-(甲氨基)丙醇和1-(2-羟乙基)吡咯烷水溶液中的吸收动力学

Chemical Engineering Science: X Pub Date : 2019-08-01 Epub Date: 2019-07-19 DOI: 10.1016/j.cesx.2019.100032

Ida M. Bernhardsen, Hanna K. Knuutila

{"title":"Kinetics of CO2 absorption into aqueous solutions of 3-dimethylamino-1-propanol and 1-(2-hydroxyethyl)pyrrolidine in the blend with 3-(methylamino)propylamine","authors":"Ida M. Bernhardsen, Hanna K. Knuutila","doi":"10.1016/j.cesx.2019.100032","DOIUrl":"10.1016/j.cesx.2019.100032","url":null,"abstract":"<div><p>The kinetics of CO<sub>2</sub> absorption into unloaded aqueous solutions of 3-dimethylamino-1-propanol (3DMA1P) and 1-(2-hydroxyethyl)pyrrolidine (1-(2HE)PRLD) blended with 3-(methylamino)propylamine (MAPA) were studied in the temperature range of 29–63 °C using a string of discs contactor. In addition, density and viscosity of the blended amines were measured in the temperature range of 25–80 °C, and N<sub>2</sub>O solubility was measured in the temperature range of 30–90 °C. The obtained results were compared with blends of 2-(diethylamino)ethanol (DEEA) and MAPA.</p><p>The present study indicated that the blended amines, with varying solvent concentration, obtained comparable values for the overall mass transfer coefficient due to competing effects between solubility, diffusivity and reaction kinetics. The solubility of CO<sub>2</sub> was higher in DEEA/MAPA than in the other blended amines, while the calculated values for the pseudo-first order kinetic constant were higher for the 3DMA1P/MAPA and 1-(2HE)PRLD/MAPA solutions than for the DEEA/MAPA solution. The pseudo-first order kinetic constants were correlated to the direct mechanism with reasonable accuracy. The contribution of the tertiary amine as a proton receiver for the MAPA-CO<sub>2</sub> reaction represented between 53 and 70% of the pseudo-first order kinetic constant.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"3 ","pages":"Article 100032"},"PeriodicalIF":0.0,"publicationDate":"2019-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100032","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43434970","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}

引用次数: 3

Fluid medium effect on stresses in suspensions of high-inertia rod-like particles 流体介质对高惯性棒状颗粒悬浮液中应力的影响

Chemical Engineering Science: X Pub Date : 2019-08-01 Epub Date: 2019-07-05 DOI: 10.1016/j.cesx.2019.100030

Vinay V. Mahajan, Junaid Mehmood, Yousef M.F. El Hasadi, Johan T. Padding

{"title":"Fluid medium effect on stresses in suspensions of high-inertia rod-like particles","authors":"Vinay V. Mahajan, Junaid Mehmood, Yousef M.F. El Hasadi, Johan T. Padding","doi":"10.1016/j.cesx.2019.100030","DOIUrl":"10.1016/j.cesx.2019.100030","url":null,"abstract":"<div><p>The rheology of suspensions of high-inertia (or granular) non-spherical particles characterized by high particle Stokes and Reynolds numbers is rarely investigated. In this study, we investigate the rheology of suspensions of inertial rod-like particles of aspect ratio 4 subjected to shear flow. In particular, the effect of fluid medium (air, water) against dry granular simulations on the developed stresses is assessed. CFD-DEM simulations are performed for a periodic shear box for a range of shear rates and volume fractions of particles. The dependence of rheological properties like shear stress, normal stress difference, pressure and relative viscosity on volume fraction, shear rate, granular temperature and the particle orientation are discussed. These results provide insight into the macroscopic rheology of suspensions of rods and demonstrate that the effect of particle shape and surrounding fluid cannot be completely ignored. Air as a fluid medium shows similar scaling as compared to dry granular simulations, but the stress values are generally lower. We observe drastic change in both scaling and values for water as fluid medium. In all cases, the rods show strong alignment in the direction of shear. This study can be further extended to develop stress closures for use in Eulerian flow models.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"3 ","pages":"Article 100030"},"PeriodicalIF":0.0,"publicationDate":"2019-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100030","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46693381","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}

引用次数: 2

Breakage modeling of needle-shaped particles using the discrete element method 基于离散元法的针状颗粒破损建模

Chemical Engineering Science: X Pub Date : 2019-08-01 Epub Date: 2019-05-18 DOI: 10.1016/j.cesx.2019.100027

R. Kumar , W. Ketterhagen , A. Sarkar , J. Curtis , C. Wassgren

{"title":"Breakage modeling of needle-shaped particles using the discrete element method","authors":"R. Kumar , W. Ketterhagen , A. Sarkar , J. Curtis , C. Wassgren","doi":"10.1016/j.cesx.2019.100027","DOIUrl":"10.1016/j.cesx.2019.100027","url":null,"abstract":"<div><p>This paper models the breakage of large aspect ratio particles in an attrition cell using discrete element method (DEM) and population balance (PB) models. The particles are modeled in DEM as sphero-cylinders. The stresses within each particle are calculated along the particle length using beam theory and the particle breaks into two parts if the stress exceeds a critical value. Thus, the size distribution changes with time within the DEM model. The DEM model is validated against previously published experimental data.</p><p>The simulations demonstrate that particle breakage occurs primarily in front of the attrition cell blades, with the breakage rate decreasing as the particle sizes decrease. Increasing the particle elastic modulus, decreasing the particle yield strength, and increasing the attrition cell lid stress also increase the rate of breakage. Particles break most frequently at their center and the daughter size distribution normalized by the initial particle size is fit well with a Gaussian distribution. Parametric studies in which the initial particle size distribution varies demonstrate that the particle sizes approach a distribution that is independent of the initial state after a sufficient amount of work is done on the particle bed. A correlation for the specific breakage rate is developed from the DEM simulations and used within a PB model along with the daughter size distribution fit. The PB model also clearly shows that the particle size distribution becomes independent of the initial size distribution and after a sufficiently long time, is fit well with a log-normal distribution.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"3 ","pages":"Article 100027"},"PeriodicalIF":0.0,"publicationDate":"2019-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100027","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47004220","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}

引用次数: 5

Incorporating numerical molecular characterization into pseudo-component representation of light to middle petroleum distillates 将数值分子表征纳入轻、中石油馏分的伪组分表示

Chemical Engineering Science: X Pub Date : 2019-08-01 Epub Date: 2019-06-22 DOI: 10.1016/j.cesx.2019.100029

Luyi Liu , Shuandi Hou , Nan Zhang

{"title":"Incorporating numerical molecular characterization into pseudo-component representation of light to middle petroleum distillates","authors":"Luyi Liu , Shuandi Hou , Nan Zhang","doi":"10.1016/j.cesx.2019.100029","DOIUrl":"10.1016/j.cesx.2019.100029","url":null,"abstract":"<div><p>Due to the need of better understanding of molecular composition of petroleum fractions to meet stricter environmental legislations, molecular level characterization has been investigated by various researchers and showed promising progress in modern refinery design, simulation and optimization. However, not only there is still an unavoidable trade-off between keeping astronomical molecule details and practicality in industrial applications, but also the developed molecular approaches are mainly applied to reaction kinetic modelling, while modelling of separation is largely based on a different method of pseudo-component representation. This inconsistency could lead to the loss of molecular information when multiple processes with reaction and separation are interconnected. In this work, the pseudo-component representation method is extended to incorporate a modified MTHS (Molecular Type-Homologous Series) matrix method [Peng, B., Molecular modelling of petroleum processes. Ph.D. Thesis, UMIST, 1999] to characterize the molecular information of pseudo-components in light to middle distillate petroleum fractions, in which boiling ranges are combined with molecular types of paraffins, olefins, naphthene, aromatics, and their derivatives to represent the molecular composition in a matrix form. The properties of each matrix entry as a component are estimated based on conventional mixing rules and thermodynamic equilibrium of isomer distribution. The composition of each matrix entry can then be estimated through regression analysis to match the predicted and measured bulk properties, with an underlying assumption that the distribution of each homologous series follows a gamma distribution function. Case studies for naphtha and light gas oil show good agreements in molecular composition and bulk properties between calculated and experimental data.</p></div>","PeriodicalId":37148,"journal":{"name":"Chemical Engineering Science: X","volume":"3 ","pages":"Article 100029"},"PeriodicalIF":0.0,"publicationDate":"2019-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/j.cesx.2019.100029","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47298374","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}

引用次数: 9

WITHDRAWN: Investigation of a Bubbling Fluidized Bed Methanation Reactor by using CFD-DEM and Approximate Image Processing Method 基于CFD-DEM和近似图像处理方法的鼓泡流化床甲烷化反应器研究

Chemical Engineering Science: X Pub Date : 2019-07-04 DOI: 10.1016/J.CESX.2019.100031

Jiageng Li, R. Agarwal, Lingjiu Zhou, Bolun Yang

引用次数: 11