Chemical Manufacturing Processes Research Articles

Financial Leadership at Lonza

Lonza Group AG, based in Basel, Switzerland, manufactures active pharmaceutical ingredients, biotechnology products organic, fine chemicals and biocides. The Company offers custom chemical manufacturing and fermentation processing and manufactures its products for the life sciences, pharmaceuticals, food processing, and agricultural industries. Founded in 1897 Lonza has grown into a global chemicals and biotechnology business. The Company operates on 120 sites and offices in more than 35 countries with 15,500 full-time employees. In 2019, Lonza generated sales of CHF 5.9 bn with a CORE EBITDA of CHF 1.6 bn.

A deep reinforcement learning based multi-criteria decision support system for optimizing textile chemical process

Textile manufacturing is a typical traditional industry involving high complexity in interconnected processes with limited capacity on the application of modern technologies. Decision-making in this domain generally takes multiple criteria into consideration, which usually arouses more complexity. To address this issue, the present paper proposes a decision support system that combines the intelligent data-based models of random forest (RF) and a human knowledge-based multi-criteria structure of analytical hierarchical process (AHP) in accordance with the objective and the subjective factors of the textile manufacturing process. More importantly, the textile chemical manufacturing process is described as the Markov decision process (MDP) paradigm, and a deep reinforcement learning scheme, the Deep Q-networks (DQN), is employed to optimize it. The effectiveness of this system has been validated in a case study of optimizing a textile ozonation process, showing that it can better master the challenging decision-making tasks in textile chemical manufacturing processes.

Hydrophilic/Hydrophobic characteristics on the carbon nanotube buckypapers with various mechanical and chemical manufacture process

Over the years, carbon nanotube have been improved based on the dispersion and stabilization by various methods. This paper aims to improve the CNTs through chemical and mechanical methods so that the manufactured a buckypaper (CNT sheet) is becoming hydrophilic characteristics. The buckypaper enables high hydrophilic efficiency due to various production methods. Herein, the oxidation and alkalization method attaching functional groups such as hydroxyl and carboxyl were used for reinforcing the buckypaper hydrophilic, and grinding for shortening the length of CNTs was added. Therefore, CNTs with functional groups have a remarkable increase in hydrophilicity. The alkalized CNT based buckypaper has few defects and non-existent impurities on the surface. When dropping droplets, it exhibits high hydrophilic properties at low angles (66.66°) and it shows a distinct difference and speed compared to pristine CNT buckypaper (132.1°). Although the oxidized CNT and double oxidized CNT based buckypaper have defects on the wall, it shows low angles (61.09°, 81.26°) respectively as same tendency with alkalized buckypaper. The characteristics of hydrophilic enable the improvement of CNT dispersion, which can improve the properties of application technologies for requiring moisture enhancement. The hydrophilicity-modified tube structure 3D layered shows the potential of the interface field to apply moisture enhancement and absorption.

Evolution of crystalline orientations in the production of ferritic stainless steel

Ferritic stainless steel EN 1.4016 is used in a wide range of applications, the most common ones related to sheet forming. Several problems in the post-processing of these steels relates to their texture and anisotropy. Therefore, it is necessary to know the mechanisms of texture formation in the subsequent stages of metal manufacturing processes. EBSD has been demonstrated as a successful characterisation technique for this purpose.It is known that during re-crystallisation of Fe-Cr steels, deviations from the desired γ-fibre texture promote a decrease of deep drawability. Additionally, α-fibre damages formability. Subsequent cold rolling and annealing can enhance the deep drawing properties of the steel sheet. In this research, a standard sample and a modified one with optimised settings as regard to chemical composition and manufacturing process, to improve the formability properties, are characterised.To analyse the preferred orientation and the type of main fibre present in the material, ODF and Aztec Reclassify Phase, to calculate the content of martensite, were used.

Effects of Photo-oxidation on the Properties of Hemp Office Papers

This research observes changes in the properties of commercially available hemp office papers exposed to photo-oxidation for artificial aging. In order to accelerate the changes that naturally occur in paper, photo-oxidation was performed using a Xenon light source. The electromagnetic radiation was administered in doses of 550?W/m2 over 24 hours with a temperature of 60°C. Three types of hemp office papers that differ in chemical composition and manufacturing process were used as samples. The strength properties (tensile index, elongation at break, tear index), surface properties (Bendtsen roughness, Bekk smoothness), pH of paper extracts, and optical properties were observed. The listed properties of artificially aged samples were compared to those of unaged commercial paper samples. The results show that, after only 24 hours, accelerated aging with a Xenon arc lamp affects all observed paper properties. For all analyzed office papers, the values of the tensile index, Bekk smoothness, and pH of paper extracts decreased, while the values of elongation break, tear index, and Bendtsen roughness increased due accelerated aging. Regarding the CIE L*a*b* color space value, lightness (L*) generally decreased after the aging treatment, and all paper samples became less reddish (a* decreased) and more yellow (b* increased). The obtained results of this research reveal that pulp with hemp fibers can produce higher-quality office paper that is more stable against light and temperature influences than those made with post-consumer fibers. However, to increase the durability of manufactured paper, hemp fibers must be bleached.

Enhancing Photocatalytic Activity of Nb₂O5-x for Aerobic Oxidation Through Synergy of Oxygen Vacancy and Porosity.

A major reduction in energy consumption and the costs of catalysts will be required in future chemical manufacturing processes. To reach this goal, the transitional metal oxides (TMOs) as photocatalysts under solar energy have been widely studied. Nb₂O5, as a promising photocatalyst, has attracted increasing attention owing to their unique properties. However, the intrinsic large bandgap of Nb₂O5 hinder its potential applications in a variety of fields. Herein, we report an effective and simple strategy to synthesize black mesoporous Nb₂O5-x nanorods (BMNb) with abundant oxygen vacancies. The formation of oxygen vacancy reduces the bandgap of Nb₂O5 which extend the photoresponse from the ultraviolet to the visible and infrared light regions. In addition, The mesoporous structure of BMNb lead to a higher surface area than the as-prepared Nb₂O5 precursor (36.24 m²/g cf 8.69 m²/g). Benefitting from coordinated regulation of structure and composition, the BMNb exhibits better photocatalytic performance than Nb₂O5 in aerobic oxidative coupling of amines to imines under visible light irradiation at room temperature. The yield of BMNb for benzylamine oxidation increases by 63% over the Nb₂O5. This work could open new perspectives to design TMOs with enhanced photocatalytic properties.

Decoupling the relative rate of hydrogen uptake via convection and mass transfer by a single catalytic pellet in a scaled down trickle bed reactor

Heterogenous hydrogenations of high value chemicals are a widely used class of reaction that potentially benefit from the advantages continuous processing possesses. Trickle bed reactors offer a viable alternative to batch manufacture, however further understanding of the interplay between hydrogen mass transfer and catalytic reaction is required to facilitate the uptake of such technologies.To isolate the transport processes, the hydrogenation of styrene was conducted with a single 1% palladium on carbon pellet immobilized within glass beads with a liquid feed either hydrogen saturated or hydrogen free and the liquid flow rate was varied. The transfer rate of hydrogen was found to be significantly affected by the hydrogen content in the feed. The observations are well described by a new model in which the pellet film is treated as a plug flow reactor, with mass transfer from the gas phase to the film modelled as diffusion through a stagnant film, and mass transfer from the film to the catalyst surface and the subsequent reaction modelled as resistances in series.Our findings indicate that the provision of inert mass transfer area to saturate the fluid with hydrogen can significantly increase the productivity per unit mass of catalyst. In addition, by controlling the ratio of catalytic and inert surface the hydrogen concentration close to the catalyst surface can be tuned. This could be utilised to adjust both the activity and selectivity of the system and therefore, give trickle bed reactors an advantage in chemical manufacturing processes.

Effect of Fe2O3 loading on CuO/CNT photocatalyst for degradation of p-Chloroaniline

Chloroaniline and its derivatives are generated from industrial chemical manufacturing processes including agricultural chemical, azo dyes and pigments, pesticides and herbicides. These compounds are found to be toxic and dangerous to aquatic and human life. Hence, their discharge into the environment must be regulated. Photocatalytic degradation is one of a promising method to remove such compounds due to its safety, low energy consumption and high efficiency. In this study, the research focused on the effect of iron oxides (Fe2O3) loading (5-50 wt%) on copper-carbon nanotubes (CuO/CNT) photocatalyst for degradation of p-chloroaniline (PCA) under visible light irradiation. The synthesized catalysts were characterized using Fourier Transform Infrared Spectroscopy to analyze its functional groups. Besides Fe2O3 loading, various parameters such as effect of PCA pH solution (3-11), catalyst dosage (0.125- 0.625 g L−1) as well as PCA initial concentration (10-100 mg L−1) were investigated. It was found that the highest degradation (75 %) of 10 mg L−1 PCA was achieved using 0.325 g L−1 10 wt% Fe2O3/50 wt% CuO/CNT at pH 7. Kinetics study showed that the PCA photodegradation followed pseudo first-order Langmuir-Hinshelwood model. It is believed that the Fe2O3/CuO/CNT can be a potential photocatalyst for degrading organics pollutant efficiently.

Applying Environmental Release Inventories and Indicators to the Evaluation of Chemical Manufacturing Processes in Early Stage Development.

As manufacturing processes are developed through the early stages of technology readiness, various assessments can be used to evaluate their performance. Performance indicators describe processes by transforming attributes into scores that represent desirable objectives. One type of assessment is obtained by determining the life cycle inventories of inputs and outputs for processes. For a functional unit of product, the user finds the resources used and the releases to the environment, which can be compared to results for similar processes and/or combined with other processes in the life cycle. In this work, an expanded range of process inputs and releases is modeled, including forklift/loader, fugitive, storage, boiler, and cooling tower emissions. A generic scenario approach for the cooling tower releases provides a first approximation of emission and wastewater flows. These inventory values are used in performance indicators that can be placed on a scale between fixed best- and worst-case limits with the GREENSCOPE methodology, thus allowing comparisons across various technologies. The processes of interest are two conversion pathways for producing cellulosic ethanol from biomass via thermochemical and biochemical routes. The results can be used in risk assessments, decision making, evaluation of research, and in spurring future technology development.

Membrane-based separation technologies: from polymeric materials to novel process: an outlook from China

Abstract During the past two decades, research on membrane and membrane-based separation process has developed rapidly in water treatment, gas separation, biomedicine, biotechnology, chemical manufacturing and separation process integration. In China, remarkable progresses on membrane preparation, process development and industrial application have been made with the burgeoning of the domestic economy. This review highlights the recent development of advanced membranes in China, such as smart membranes for molecular-recognizable separation, ion exchange membrane for chemical productions, antifouling membrane for liquid separation, high-performance gas separation membranes and the high-efficiency hybrid membrane separation process design, etc. Additionally, the applications of advanced membranes, relevant devices and process design strategy in chemical engineering related fields are discussed in detail. Finally, perspectives on the future research directions, key challenges and issues in membrane separation are concluded.

Computer-aided reaction solvent design based on transition state theory and COSMO-SAC

Solvents have been widely used in chemical manufacturing processes. When involved in liquid homogeneous-phase kinetic reactions, they can have significant impacts on the reaction product yield. In this paper, an optimization-based framework is developed for reaction solvent design. The framework first identifies a reaction kinetic model using a hybrid method consisting of three steps. In step one, a rigorous thermodynamic derivation based on CTST (Conventional Transition State Theory) is performed to formulate a primary reaction kinetic model. In step two, a knowledge-based method is used to select additional solvent properties as supplementary descriptors to account for quantitative correction to the model and thereby improving the prediction accuracy. In step three, model identification is performed to obtain the best regressed reaction kinetic model. This hybrid modelling method is tested through two case studies, namely Diels-Alder and Menschutkin reactions, and an impressive consistency of the results is observed when the infinite dilution activity coefficients (calculated by COSMO-SAC model), hydrogen-bond donor, hydrogen-bond acceptor and solvent surface tension are selected as descriptors in the final reaction kinetic model. The GC-COSMO and GC (Group Contribution) methods are combined for the prediction of these descriptors. Finally, the Computer-Aided Molecular Design (CAMD) technique is integrated with the derived kinetic model for reaction solvent design by formulating and solving a Mixed-Integer Non-Linear Programming (MINLP) model. A decomposition-based solution algorithm is employed to manage the complexity involved with the nonlinear COSMO-SAC equations. Promising reaction solvents are identified and compared with those reported by others, indicating wide applicability and high accuracy of the developed optimization-based framework.

Solar-driven high-temperature steam generation at ambient pressure

This paper demonstrates a facile solar steam generator for the generation of high-temperature steam at ambient pressure. The steam generator consists of a coiled copper tube (CCT) that serves as both solar collector and vapor heater. Both the inner and outer surfaces of the CCT are coated with black superhydrophobic copper oxide layer to improve the solar absorption, and such superhydrophobic layer prevents the condensation and clogging of water vapor during the heating process. Solar vapor is generated at the inlet of CCT through interfacial evaporation and subsequently heated inside the CCT as the vapor travels from the inlet to the outlet. By employing this approach, steam temperature that exceeds 100 °C under 1-sun illumination is demonstrated. Furthermore, steam temperature could reach as high as 250 °C under 10-sun illumination at ambient pressure. Successful sterilization experiment was also performed in this work to demonstrate the potential application of the high temperature steam generated. Such demonstrated approach helps open up the potential usage of solar-driven interfacial evaporation in applications that involve high-temperature steam, including medical sterilization, chemical manufacturing and food processing.

Study on optimum technological conditions for producing androstenedione by microbial method

As an indispensable intermediate, androstenedione is widely used in drug manufacturing, especially steroidal drugs. However, the chemical manufacturing process of androstenedione is generally complicated and difficult, and it will cause serious environmental pollution in the production process. The biological method for the production of androstenedione has a very promising development prospect, because it is more economical and environmentally friendly than chemical methods. In order to better produce androstenedione on a large scale, the imbalance between supply and demand can be solved. In this study, the biaqueous phase system was used to increase the substrate concentration, and the method of transforming plant sterol by mycobacterium was used to produce androstenedione. The optimal conditions for the production of androstenedione by microbial assay were determined by orthogonal test: the aqueous two-phase system was water/ sunflower oil, the temperature was 30 °C, the initial pH was 6.5, the substrate concentration was 0.4 g/L, the rotation speed was 250 rpm, and the inoculation was carried out. The amount was 14.83%, the organic ratio was 20.65%, and the liquid loading was 150/500 mL. The preliminary production of androstenedione by microbial method has found suitable process conditions and provided data and theoretical support for its large-scale production.

Optimization of Cooler Networks with Different Cooling Types in Series and Parallel Configuration

A cooler network is a significant part in a heat exchanger network, which is also vital to energy consumption and economic performance of the entire chemical manufacturing process. Currently, the work on the optimization of cooler networks chiefly has attached to optimization of circulating cooling water systems. However, few researchers have taken different cooling types with series and parallel configuration into consideration in the process of optimization on cooler networks. On the basis of lectotype among the dry type air cooler, spray type air cooler on behalf of wet type air coolers, and circulating cooling water system, a superstructure-based optimization model with minimizing total annual cost as the objective function is established in this paper, formulated through mixed-integer nonlinear programming. Coolers with series and parallel configuration are allowed to reduce energy and water consumption and improve economic performance. Corresponding case studies show that the model can give a more e...

Nutritional characterization of carobs and traditional carob products.

Twenty traditional carob products were measured for their nutritional composition, and their results were compared with the pulp of Cypriot carob cultivars. Moisture, ash, fat, proteins, sugars, dietary fibers, minerals, caffeine‐theobromine, carbohydrates, and energy value were determined. Fluctuations of the nutritional composition values based on the ingredients’ chemical synthesis and product manufacturing process were noted. Only 60% of the products had a label indicating their nutritional value, and the majority of them (75%) were consistent with that of labeling. Chemometric analyses distinguished the carob products according to their type and the discriminator components highlighted their particular nutritional value. Carobs can be characterized as functional foods with low‐fat content, high content in dietary fibers, and high content and/or source of minerals; however, carob products partially satisfied those health and nutritional claims as expected. This pilot research contributes to the nutritional estimation of carob and highlights the traditional carob products.

Sustainable Design and Synthesis of Shale Gas Processing and Chemical Manufacturing Processes

In this work, we propose a superstructure of integrated shale gas processing and chemical manufacturing processes with 51,840 alternative possible process designs. The superstructure consists of eight sections, namely acid gas removal, dehydration, NGLs recovery, NGLs separation, hydrocarbons conversion, light olefins separation, C4 separation, and acid gas disposal. For the steam cracking reactions in the hydrocarbons conversion section, we optimize the product distributions of steam cracking of ethane, propane, n-butane, and i-butane. Extensive process simulations are performed for all the involved processes in the superstructure in order to collect high-fidelity process data and develop detailed process models for the technology/process alternatives in the superstructure. Next, we propose a multiobjective mixed-integer nonlinear programming (MINLP) superstructure optimization model with five groups of constraints, namely superstructure network configuration constraints, mass balance constraints, energy balance constraints, techno-economic evaluation constraints, environmental impact assessment constraints. Three objective functions are maximizing the net present value per GJ of raw shale gas, minimizing the global warming potential per GJ of raw shale gas, and minimizing the water footprint per GJ of raw shale gas, respectively. A tailored global optimization algorithm is applied to efficiently solve the resulting nonconvex MINLP problem. The application of the proposed framework is illustrated through a case study based on a Marcellus shale gas feed.

Chemical manufacturing for the masses

Constructing complex chemicals could one day be as easy as building an Ikea bookshelf, if a synthesis approach developed by chemists at the University of Glasgow catches on. Instead of relying on a hex key as the central tool in the assembly process, molecule makers would use a three-dimensional printer. Leroy Cronin and colleagues report a chemical manufacturing process that uses customized, 3-D-printed, sealed reactors that users load with chemicals according to simple instructions. “The aim is to make a molecule with very little expertise just following the instruction manual,” Cronin explains. He thinks this digitized chemistry technology will allow nonchemists, such as biologists and medical professionals, to synthesize molecules with short shelf lives when and where they’re needed. It would also create a method for reproducibly synthesizing a compound. “Once you’ve digitized the process to do the synthesis, it can be resurrected forever,” he says. As a proof of

A new superstructure optimization paradigm for process synthesis with product distribution optimization: Application to an integrated shale gas processing and chemical manufacturing process

We propose a novel process synthesis framework that combines product distribution optimization of chemical reactions and superstructure optimization of the process flowsheet. A superstructure with a set of technology/process alternatives is first developed. Next, the product distributions of the involved chemical reactions are optimized to maximize the profits of the effluent products. Extensive process simulations are then performed to collect high‐fidelity process data tailored to the optimal product distributions. Based on the simulation results, a superstructure optimization model is formulated as a mixed‐integer nonlinear program (MINLP) to determine the optimal process design. A tailored global optimization algorithm is used to efficiently solve the large‐scale nonconvex MINLP problem. The resulting optimal process design is further validated by a whole‐process simulation. The proposed framework is applied to a comprehensive superstructure of an integrated shale gas processing and chemical manufacturing process, which involves steam cracking of ethane, propane, n‐butane, and i‐butane. © 2017 American Institute of Chemical Engineers AIChE J, 63: 123–143, 2018

Creation of the Combined Heat-Resistant Coating with Gradient Modification of Layers and Methods of its Testing

Corrosion protection of equipment, apparatus and thermal-stressed metal structures (which refer to equipment of fuel and power industries) operated under conditions of chemical manufacturing processes is the prime industrial target. Corrosive medium causes changes in material structure and properties resulting in decreased strength and premature damage of equipment [1].The subject of research is the system of thermal resistant protective coating for extreme operation conditions.The objective of the study is technology development of protective organic coating with predictable properties within the long-term operation of real gas-compressor units. The research resulted in improved procedure of thermogradient coatings application with positive progress due to the modification of layers of heat-resistant paintwork materials [2].

Si-CNT/Reduced Graphene Oxide Nanoheterostructures As High-Performance Lithium-Ion Battery Anodes

In the recent years, rechargeable lithium-ion batteries (LIBs) have gained in importance for electronic devices and electric vehicles. Thus, research and development focuses on improving energy and power densities as well as durability of LIBs. Currently, commercially available graphite anodes with a specific capacity of 372 mAh g–1 are used, but these cannot satisfy the abovementioned demands. Silicon is a very promising candidate as an anode material due to its high theoretical capacity of 3579 mAh g–1 at room temperature (according to the formation of the Li15Si4alloy). However, this high specific capacity owing to host up to 3.75 lithium atoms per silicon atom leads to extreme volume expansion up to 300% during lithiation, which results in pulverization and delamination of the electrode material after few cycles. Various approaches have been conducted to overcome these issues e.g. by using nanosized active material or carbon-based silicon composites. Nanosized structures can shorten the diffusion pathways of the lithium-ions, thus facilitating rapid lithiation and delithiation processes. In addition, smaller sized structures can also significantly reduce the inner-mechanical stress of the materials during lithiation/delithiation of the active material. Carbon-based additives, e.g. carbon nanotubes (CNTs) for forming nanocomposites with silicon nanostructures can not only improve the electrical conductivity of the silicon anodes, but can also effectively accommodate the large volume changes of silicon nanoparticles (Si NPs) during the electrochemical reactions. ln this study, we propose a new strategy using reduced graphene oxide (rGO) in combination with a stabilized Si-CNT hybrid to generate a robust, highly conducting nanoheterostructure to further enhance the stability and the electrochemical performance of silicon-based electrode materials. Si NPs were synthesized in the gas phase by decomposition of monosilane in a hot-wall reactor. Si NPs and CNTs were functionalized and reacted to form the Si-CNT hybrids, utilizing the formation of peptide bonds between amine-modified Si NPs and the carboxyl-functionalized CNTs. This chemical linking is the first step to improve the binding strength between the Si NPs and an electrically conducting network. The Si-CNT hybrid was combined with GO to self-assemble to form a robust nanoheterostructure, which is subsequently reduced. Si NPs, CNTs, and rGO sheets play important roles in this unique nanoheterostructure as LIB anode. Si NPs provide high capacity, rGO ensures high electrical conductivity for the entire structure and provides sufficient void spaces to buffer the volume changes of the Si NPs, and CNTs act as the scaffolding to bind the Si NPs and provide additional electrically-conductive channels. Here we present electrochemical investigations of silicon anodes based on Si-CNT/rGO nanoheterostructure nanocomposite material. The electrode preparation is based on a well-established wet chemical doctor blade manufacturing process using a water based binder. The nanocomposite material shows a high reversible capacity of 1665 mAh g–1 with good capacity retention of 88.6% over 500 cycles when cycled at 0.5 C, that is, a 0.02% capacity decay per cycle. The high-power capability is demonstrated at 10C (16.2 Ag-1) where 755 mAh g–1 are delivered. Full cell experiments demonstrate the applicability of improved silicon anodes for lithium-ion batteries.