Understanding Interaction Capacity of CO2 with Organic Compounds at Molecular Level: A Theoretical Approach

In this chapter, interactions of CO2 with a number of organic compounds at molecular level are discussed in detail. The naked and substituted hydrocarbons along with compounds functionalized by hydroxyl, carbonyl, thiocarbonyl, carboxyl, sulfonyl, and amide groups have attracted much attention as CO2-philic agents. In general, interaction capacity between the functionalized organic compounds with CO2 is stronger than the hydrocarbon and its derivatives. An addition of more CO2 molecules into the interaction system formed by the functionalized organic compounds and CO2 leads to an increase in the stability of the complexes. The obtained results indicate that π…π linkages between CO2 and aromatic rings can significantly contribute to the interactions between CO2 and MOF/ZIF materials. Formic acid (HCOOH) is likely to be the most soluble compound as compared to the remaining host molecules (CH3OH, CH3NH2, HCHO, HCOOCH3, and CH3COCH3) when dissolved in CO2. The carbonyl (>C═O, >C═S) and sulfonyl (>S═O, >S═S) compounds have presented a higher stability, as compared to other functionalized groups, when they interact with CO2. Therefore, they can be valuable candidates in the design of CO2-philic materials and in the search of materials to adsorb CO2

ẢNH HƯỞNG CỦA CÁC YẾU TỐ THỦY ĐỘNG LỰC ĐẾN ĐẶC ĐIỂM PHÂN BỐ BÙN CÁT LƠ LỬNG VÙNG BIỂN VEN BỜ SÔNG MÊ KÔNG

This paper presents some research results on the distribution characteristics of suspended sediment in coastal waters of Mekong river under the influence of hydrodynamic factors by using numerical model. The model was built on unstructured grid and calibrated with observed data to verify water levels at My Thanh, Thuan An stations. The calculated results showed the role of wind, wave, river discharges during both the rainy and dry seasons, and water level fluctuation to the distribution characteristics of suspended sediment in coastal waters of Mekong river mouth area. Accordingly, under the influence of waves, wind, the concentration of suspended sediment in the flood tidal phase was enhanced from the bottom floor to the surface, and a significant increase in turbidity occurred off Mekong River mouth. On the other hand, the distributions of suspended sediment concentration in tributaries were different, and depended on the tidal fluctuations.Bài báo giới thiệu một số kết quả nghiên cứu đặc điểm phân bố bùn cát lơ lửng dưới ảnh hưởng của một số yếu tố thủy động lực tại vùng biển ven bờ sông Mê Kông bằng mô hình số trị. Để thiết lập mô hình tính, các chuỗi số liệu quan trắc đã được thu thập, xử lý hệ thống và đồng bộ để tạo ra các điều kiện biên trong sông, biên mở phía biển được xác định bằng phương pháp lưới lồng từ một mô hình tính sóng phía ngoài. Mô hình được xây dựng trên lưới phi cấu trúc và được hiệu chỉnh kiểm chứng với số liệu đo mực nước tại trạm Mỹ Thanh, An Thuận. Các kết quả tính toán đã cho thấy vai trò của điều kiện sóng, lưu lượng nước sông, dao động mực nước đến đặc điểm phân bố bùn cát lơ lửng ở vùng biển ven bờ cửa sông Mê Kông. Theo đó, hàm lượng bùn cát lơ lửng trong pha triều lên được tăng cường từ các tầng phía dưới lên tầng mặt và tăng đáng kể độ đục ở phía ngoài biển trong pha triều xuống. Mặt khác, phân bố hàm lượng bùn cát lơ lửng tại các nhánh sông là khác nhau và đều phụ thuộc chặt chẽ vào dao động mực nước triều

Analysis of flow characteristics of cylindrical and helical type multi-lobe roots blower

Roots blower is a positive displacement machine that has the advantage of a larger flow than conventional blowers. Roots blowers are widely used in industrial production such as chemicals, food, medical, etc. However, during actual operation, this type of machine often achieves low performance. One of the issues that greatly affect performance is the flow characteristics of the blower. Flow characteristics include factors related to flow rate, pressure, and flow phenomena in the blower chamber. Flow characteristic analysis is a complex problem in hydraulic machines. Flow analysis helps to investigate the motion of the flow to design high-performance machines. This study uses a mathematical model of gear theory to design the rotor profile with cylindrical and helical lobes of the multi-lobe Roots blower. The rotor profile is formed on the principle that the ellipse rolls without slipping on the base circle. On the basis of the mathematical model of the rotor profile, the paper compares the flow rate and pressure characteristics of the two blowers. The fluid dynamics analysis model was built on ANSYS software. The structural grid model is also built to increase the computational efficiency of the mathematical model. The lobes are embedded and rotated in the blower chamber. The results show that with the same radial and axial dimensions, the cylindrical lobe has a larger flow. However, the helical lobe has a more stable flow quality than the cylindrical lobe (15.2 % less flow fluctuation). In terms of pressure, the helical lobe type has a higher pressure than the cylindrical lobe type. In addition, the helical lobe type also reduces the influence of eddy currents acting on the blower chamber walls and rotors. That results in increased blower efficiency. The results of the paper will be a reliable basis for reducing time in the development of multi-lobe Roots blowers with high performanc

Model Updating for Large-Scale Railway Bridge Using Grey Wolf Algorithm and Genetic Alghorithms

This paper proposes a novel hybrid algorithm to deal with an inverse problem of a large-scale truss bridge. Grey Wolf Optimization (GWO) Algorithm is a well-known and widely applied metaheuristic algorithm. Nevertheless, GWO has two major drawbacks. First, this algorithm depends crucially on the positions of the leading Wolf. If the position of the leaderis far from the best solution, the obtained results are poor. On the other hand, GWO does not own capacities to improve the quality of new generations if elements are trapped into local minima. To remedy the shortcomings of GWO, we propose a hybrid algorithm combining GWO with Genetic Algorithm (GA), termed HGWO-GA. This proposed method contains two key features (1) based on crossover and mutation capacities, GA is first utilized to generate the high-quality elements (2) after that, the optimization capacity of GWO is employed to seek the optimal solutions. To assess the effectiveness of the proposed approach, a large-scale truss bridge is employed for model updating. The obtained results show that HGWO-GA not only provides a good agreement between numerical and experimental results but also outperforms traditional GWO in terms of accuracy

Internal Instability as a Security Challenge for Vietnam

National security is one of the most critical elements for Vietnam society, economy and political system, their stability, sustainability and prosperity. It is unconditionally the top priority for Vietnamese government, State, Communist Party and military forces. In the contemporary world with advanced technology and rapid globalization process taking place, beside many extant economic, social and political benefits there are many appearing challenges and threats that could endanger and destabilize the current socio-economic and political system of any country, including Vietnam. The security issues and concerns understood by those challenges and threats are posed for the international and national community, both from outside and from within. The national security issues and concerns should be constantly screened and updated as the world is evolving at unprecedented pace, with particular exposure to the rising, but not yet fully identified, unconventional challenges and threats that have never seen before. The article is using empirical analysis and case study as methodology for carrying out research, treating security and military science as interdisciplinary, but two of the branches of social science. The aim of this article is to focus on internal instability as challenging security issue that could pose a real threat and danger to the current socio-economic and political system and based on that to draw some implications and propose some viable solutions for the Vietnamese authority to guard the safety and security of the people, society and also its political existence

Does BLEU Score Work for Code Migration?

Statistical machine translation (SMT) is a fast-growing sub-field of computational linguistics. Until now, the most popular automatic metric to measure the quality of SMT is BiLingual Evaluation Understudy (BLEU) score. Lately, SMT along with the BLEU metric has been applied to a Software Engineering task named code migration. (In)Validating the use of BLEU score could advance the research and development of SMT-based code migration tools. Unfortunately, there is no study to approve or disapprove the use of BLEU score for source code. In this paper, we conducted an empirical study on BLEU score to (in)validate its suitability for the code migration task due to its inability to reflect the semantics of source code. In our work, we use human judgment as the ground truth to measure the semantic correctness of the migrated code. Our empirical study demonstrates that BLEU does not reflect translation quality due to its weak correlation with the semantic correctness of translated code. We provided counter-examples to show that BLEU is ineffective in comparing the translation quality between SMT-based models. Due to BLEU's ineffectiveness for code migration task, we propose an alternative metric RUBY, which considers lexical, syntactical, and semantic representations of source code. We verified that RUBY achieves a higher correlation coefficient with the semantic correctness of migrated code, 0.775 in comparison with 0.583 of BLEU score. We also confirmed the effectiveness of RUBY in reflecting the changes in translation quality of SMT-based translation models. With its advantages, RUBY can be used to evaluate SMT-based code migration models.Comment: 12 pages, 5 figures, ICPC '19 Proceedings of the 27th International Conference on Program Comprehensio

A thorough theoretical investigation into complexes formed by interaction of dimethyl sulfoxide with two water molecules

A computational study of the stability and the cooperative effect of hydrogen bonds in the complexes of dimethyl sulfoxide and two water molecules was undertaken at the MP2/6-311++G(2d,2p) level of theory. The cooperative energies of obtained complexes are significantly negative, indicating that there is a large cooperativity between types of hydrogen bonds. The existence of the O−H∙∙∙O hydrogen bond present at dimer of water increases the stability of O−H∙∙∙O and C−H∙∙∙O hydrogen bonds in the ternary complexes compared to relevant binary complexes. By vibrational and NBO analyses, it is found that the magnitude of stretching frequency red shift of O−H bonds in the O−H···O hydrogen bonds is enhanced, whereas the extent of stretching frequency blue shift of C−H bonds in the C−H∙∙∙O hydrogen bonds is weakened when the cooperativity of hydrogen bonds happens in the ternary complexes. Obtained results of AIM analysis and stabilization energies indicate the larger contribution of the O−H∙∙∙O relative to the C−H∙∙∙O hydrogen bond to cooperativity. Keywords. Dimethyl sulfoxide, hydrogen bond, cooperativity