Boosting hydrogen and chemicals production through ethanol electro-reforming on Pt-transition metal anodes

The aim of this work is to boost the combined hydrogen and added-values compounds generation(acetaldehyde, acetic acid and ethyl acetate) through ethanol electrochemical reforming using bimetallic anodes. In particular, the influence of the secondary metal on the electrochemical performance as well as on the product distribution was studied. For that purpose, Pt X/C electrocatalysts(where X corresponds to Cu, Co, Ni and Ru) were synthesized by the modified polyol method and tested in both half-cell and proton exchange membrane(PEM) cell configurations. Characterization results showed that incorporation of Ni and Co into the Pt matrix enhances the morphological properties of the material, providing smaller crystallite sizes, higher active surface areas and hence, better dispersion when comparing to Ru and Cu-based electrocatalysts. Ethanol oxidation reaction(EOR) was evaluated by cyclic, linear voltammetry and chronopotentiometry assays. Pt Co/C and Pt Ni/C exhibited the highest electrocatalytic activity at high polarization levels, which translate into an improvement of more than 30%(up to 1050 m A cm^(-2)) in the hydrogen production and chemical yields. On the other hand, Pt Ru/C results more advantageous for a lower potential interval(<0.85 V) promoting the acetic acid production despite sacrificing ethanol conversion. Pt Cu/C presented the lowest results in both electrochemical performance and product distribution. Such differences in the electrochemical performance can be rationalized in terms of the synergistic effect between both metals(particle size distribution, grade of dispersion and hydrophilic behavior), which demonstrate that the incorporation of a different secondary metal plays an essential role in the EOR development.

Metabolic engineering based on systems biology for chemicals production

Microorganisms have been the main sources for the production of chemicals.Production of chemicals requires the development of low-cost and higher-yield processes.Towards this goal,microbial strains with higher levels of production should be first considered.Metabolic engineering has been used extensively over the past two to three decades to increase production of these chemicals.Advances in omics technology and computational simulation are allowing us to perform metabolic engineering at the systems level.By combining the results of omics analyses and computational simulation,systems biology allows us to understand cellular physiology and characteristics,which can subsequently be used for designing strategies.Here,we review the current status of metabolic engineering based on systems biology for chemical production and discuss future prospects.

Accelerating Factor Xa inhibitor discovery with a de novo drug design pipeline

Small-molecule drugs are essential for maintaining human health. The objective of this study is to identify a molecule that can inhibit the Factor Xa protein and be easily procured. An optimization-based de novo drug design framework, Drug CAMD, that integrates a deep learning model with a mixed-integer nonlinear programming model is used for designing drug candidates. Within this framework, a virtual chemical library is specifically tailored to inhibit Factor Xa. To further filter and narrow down the lead compounds from the designed compounds, comprehensive approaches involving molecular docking,binding pose metadynamics(BPMD), binding free energy calculations, and enzyme activity inhibition analysis are utilized. To maximize efficiency in terms of time and resources, molecules for in vitro activity testing are initially selected from commercially available portions of customized virtual chemical libraries. In vitro studies assessing inhibitor activities have confirmed that the compound EN300-331859shows potential Factor Xa inhibition, with an IC_(50)value of 34.57 μmol·L^(-1). Through in silico molecular docking and BPMD, the most plausible binding pose for the EN300-331859-Factor Xa complex are identified. The estimated binding free energy values correlate well with the results obtained from biological assays. Consequently, EN300-331859 is identified as a novel and effective sub-micromolar inhibitor of Factor Xa.

Artificial photosynthesis for high-value-added chemicals:Old material,new opportunity

Solar energy utilization has drawn attention due to ever-increasing environmental and energy issues.Photoelectrochemical(PEC)and photocatalytic(PC)water splitting for hydrogen production,which is the most popular and well-established solar-to-chemical conversion process,has been studied thoroughly to date but is now facing limitations related to low conversion efficiency.To resolve this issue,research in PEC cells or photocatalysts has recently aimed to produce alternative value-added chemicals by modifying their redox reactions,which potentially enables high economic reward to compensate for the low efficiency.Here,various kinds of redox reactions that decouple classic water splitting reactions to produce value-added chemicals via PEC and PC processes are introduced.Successful coupling of CO_(2) reduction,O_(2) reduction and organic synthesis with either water oxidation or water reduction is comprehensively discussed from the perspective of basic fundamental and product selectivity in terms of the band structure of materials,cocatalyst design,and thermodynamics and kinetics of the reactions.Throughout the review,future challenges and opportunities are suggested with respect to the redesigned artificial synthesis,which might be an alternative development for the commercialization of PEC or PC value-added chemical production technologies in the near future.

THEORY AND APPLICATION OF FRACTIONAL STEP CHARACTERISTIC FINITE DIFFERENCE METHOD IN NUMERICAL SIMULATION OF SECOND ORDER ENHANCED OIL PRODUCTION

A kind of second-order implicit fractional step characteristic finite difference method is presented in this paper for the numerically simulation coupled system of enhanced （chemical） oil production in porous media. Some techniques, such as the calculus of variations, energy analysis method, commutativity of the products of difference operators, decomposition of high-order difference operators and the theory of a priori estimates are introduced and an optimal order error estimates in l^2 norm is derived. This method has been applied successfully to the numerical simulation of enhanced oil production in actual oilfields, and the simulation results ate quite interesting and satisfactory.

A review of pulse electrolysis for efficient energy conversion and chemical production

Electrochemical transformation emerges as an important solution to sustainable energy conversion and chemical production.Conventional electrolytic systems usually operate under galvanostatic or potentiostatic conditions that sometimes result in unsatisfactory efficiencies or selectivities.Pulse electrolysis by pulsating and programming the potentials/currents can feature unique tunability to the electrodeelectrolyte interface properties that can give rise to drastically different electrochemical behaviors compared to the steady-state counterparts.Although invented almost 100 years ago,pulse electrolysis has received little attention over the period,but has recently attracted a revived focus toward the energyefficient electrolysis.This review will summarize the history and recent efforts of pulse electrolysis in three categories:water electrolysis,CO_(2)electrolysis and other electrolysis.In each section,the advantage of pulse electrolysis over steady-state electrolysis will be discussed in detail,giving a comprehensive overview of the pulse effect on the electrolytic systems.Finally,we will provide our vision of future directions in pulse electrolysis based on previous works.

Theory and application of numerical simulation method of capillary force enhanced oil production

A kind of second-order implicit upwind fractional step finite difference methods are presented for the numerical simulation of coupled systems for enhanced （chemical） oil production with capillary force in the porous media. Some techniques, e.g., the calculus of variations, the energy analysis method, the commutativity of the products of difference operators, the decomposition of high-order difference operators, and the theory of a priori estimate, are introduced. An optimal order error estimate in the l2 norm is derived. The method is successfully used in the numerical simulation of the enhanced oil production in actual oilfields. The simulation results are satisfactory and interesting.

Energy consumption hierarchical analysis based on interpretative structural model for ethylene production

Interpretative structural model(ISM) can transform a multivariate problem into several sub-variable problems to analyze a complex industrial structure in a more efficient way by building a multi-level hierarchical structure model. To build an ISM of a production system, the partial correlation coefficient method is proposed to obtain the adjacency matrix, which can be transformed to ISM. According to estimation of correlation coefficient, the result can give actual variable correlations and eliminate effects of intermediate variables. Furthermore, this paper proposes an effective approach using ISM to analyze the main factors and basic mechanisms that affect the energy consumption in an ethylene production system. The case study shows that the proposed energy consumption analysis method is valid and efficient in improvement of energy efficiency in ethylene production.

Major Export Products of the Shanghai Chemicals I/E Corp.

Pigments Everbright Brand pigments, exported in the past four decades, rank first in China for their annual export volume because of wide variety and stable colour. Inorganic pigments: iron oxide red, iron oxide yellow, iron oxide black, ultramaring blue, milori blue, lead oxide red,

Investigation of Pollution Level of Traces Metals Elements in Agricultural Soil of Oubritenga Province of Burkina Faso

The purpose of this study was to investigate the pollution level of trace metals As, Cd, Co, Cr, Cu, Hg, Mn, Ni, Pb, Sb, Se and Zn in agricultural soil around the water reservoir. A total of 36 soil samples were collected both during off-season agriculture and pluvial agriculture from April to October 2022. The samples were analyzed for trace metals according to the standard methods of the US EPA 2007 with a microwave plasma atomic emission spectrometer (MP-AES), Agilent Model 4210. The pollution level was assessed using contamination factor (Cf) and modified contamination degree (mCd). During the off-season, the concentration of trace metals followed in descending order as Mn > Cr > Cu > Pb > Zn. As, Cd, Co, Hg, Ni, Sb and Se were below the detectable limits. In pluvial season, the concentration of traces of metal follows the order Mn > Cr > Zn > Cu > Ni > Pb > Hg > As. Cd, Co, Sb and Se remain below the detectable limits. The concentrations of Cr, Mn and Zn were lower in the off-season agriculture than in pluvial agriculture. For Cu and Pb, the concentrations were higher in the off-season than in pluvial agriculture. The Cf ranges from 0.24 to 11.70 depending on the considered trace metal. The Cf values of As, Ni, Pb, Zn and Mn indicated that the agricultural study soil was lowery contaminated by these trace metals. The agricultural study soil was moderately contaminated by Cr and Cu, and highly contaminated by Hg. Globally the agricultural study soil presents a moderate degree of contamination (mCd 2.25) by the eight trace metals studied. This result provides information on understanding the risks of trace metal contamination of agricultural soil. It is important to anticipate the control of soil contamination through regular monitoring of toxic metals in agricultural soils, control the quality of chemicals used in agriculture and regulate their use.

Integrated Assessment of Environmental and Economic Performance of Chemical Products Using Analytic Hierarchy Process Approach

With the increasing public consciousness on environmental issues, chemical products and process designs require simultaneous satisfaction and compromise of environmental and economical requirements. To fulfill the two conflicting while complementary objectives, a systematic approach for life cycle design of a chemical product is proposed in this article. Multiattribute decision-making is adopted in a trade-off consideration of both technical economical evaluation and environmental impacts assessment using the analytic hierarchy process （AHP） approach. On the basis of an evaluation of the relative importance of the criteria multicriteria decision making is performed. In this study, an AHP model is used to derive single a criteria score by analyzing the environmental impact and life cycle cost of a product, respectively. And a fluctuant weight analysis is put forth to calculate the integrated index of the product to enable products to be ranked or selected intuitionally and conveniently. The proposed AHP model has been applied to a case study, a comparative study on chamber cleaning with NF3 and C2F6. The resuits show that the protposed AHP model is Capable of providing a rational and relevant evaluation.

Research and Application of Computer Management of the Test Chemical Products Quality Analysis

According to the regulations of the People＇s Republic of China national standard as the basis, on the part of chemical industry product quality inspection and analysis of the implementation of computer management has developed a set of software applications, the software in chemical products quality inspection and analysis of the means of management is an innovation. The software functions, can automatically process data, judge the product grade, quality analysis, objective and fair, convenient, fast, accurate, stable, practical, and easy to popularize.

Development of Sustainable Solutions for Zebra Mussel Control Through Chemical Product Engineering

The zebra mussel is an important aquatic pest that causes great damage to freshwater-dependent industries, due to biofouling. The main goal of the project discussed here is to develop improved solutions to control this species. Three approaches have been explored in an attempt to design innovative application strategies for existing biocides： （i） encapsulation of toxins; （ii） combination of toxins; （iii） investigation of the seasonal variation of the species＇ tolerance to toxins. In this paper, the principles behind these approaches and the major results on each topic are presented. The benefits of adopting a chemical product engineering approach in conducting this project are also discussed.

Competitive Chinese Chemical Products

In the early days after the founding of New China, there were only some poorly equipped small chemical factories in the cities of Shanghai, Shenyang. Dalian, Nanjing and Tianjin across the country, with a total output value of RMB 170 million. Now, 45 years later, the chemical industry boasts 23 branches. 40, 000 kinds of products, a total output value of RMB 330 billion and a total import and export volume of RMB 20 billion, according to Gu Xiulian, Minister of Chemical Industry in a speech at the ’94 Beijing International

Chemical Analysis Method for Carbon Bearing Refractory Products——Determination of the Total Carbon by Combustion Gravimetric Method

GB/T 13245-91 1 Theme and Scope This standard specifies the method abstract, reagents, apparatus, specimen, analyzing procedure, result calculation and permissible tolerance used for determination of the total carbon with combustion gravimetric method.

Intercalation Assembly and Chemical Product Engineering of Layered Intercalated Functional Materials Based on Efficient Utilization of Magnesium Resources in Salt Lakes

1 Introduction Magnesium salts are very important by-product of salt lake industry in West China.Nearly 200 million cubic meters of waste brine are released to the environment

PVP: Refined Chemical Product

Polyvinylpyrrolidone (PVP) developed by the Henan Kaiyuan Refined Chemical Works is a kind of soluble high molecular refined chemical product, with strong solvency and bond power and it is a principal medicinal supplementary ingredient. It can be used as a bonding agent for making medicinal tablets and particles, and as a dissolving agent for injection a gents, a diluent for capsules, a liquor and pigmentated agent,

A Briefing on Chemical Products Import & Export in 1996

Following high speed growth in consecutive years, the development speed of China’s chemical products imports & exports declined by a wide margin in 1996. The annual total import & export value of chemical products was US$31.7 billion, a growth of 6.6 percent over 1995. The growth range was down 30 percentage points compared with the rate in the same period of the previous year. Of these, export value was US$12.396 billion, a growth of 4.7 percent; import value was US$19.297 billion, a growth of 8 percent. The growth rate was down 27 and 33 percentage points over the previous year respectively.

The research on nano materials and its application in the chemical aspects

The nanotechnology is of great siguifieance to the country＇s future economic, social development and national security, and it will bring a revolutionary change to the medicine, manufacturing, materials and information communication and other industries, therefore, in recent years, nano science and technology is greatly favored all over the world especially in developed countries. All the countries （areas） in the world have developed the nanotechnology as the main driver of the technical innovation in the twenty-first century, and have formulated development strategies and plans, to promote and guide their development in nanotechnology, which lead to fiercer and fiercer competition. In this paper, the author mainly introduces the application of nano materials in catalysis, filtration, separation, paint and new fine chemical industry and so on.