Atomization Energy Approach to Alloys and Metal Compounds

2019 ◽  
pp. 185-220
Author(s):  
Masahiko Morinaga
Keyword(s):  
Energy Approach ◽  
Atomization Energy ◽  
Metal Compounds

Atomization energy approach to the quantitative evaluation of catalytic activities of metal oxides during dehydrogenation of MgH2

2011 ◽  
Vol 509 ◽  
pp. S612-S615 ◽  
Author(s):  
H. Hirate ◽  
M. Morinaga ◽  
H. Yukawa ◽  
H. Nakai
Keyword(s):  
Metal Oxides ◽  
Quantitative Evaluation ◽  
Energy Approach ◽  
Atomization Energy ◽  
Catalytic Activities

The influence of potassium dichromate on dissimilatory reduction of sulfate and nitrate ions by bacteria Desulfovibrio sp.

2017 ◽  
Vol 28 (1-2) ◽  
pp. 84-95
Author(s):  
O. M. Moroz ◽  
S. O. Hnatush ◽  
Ch. I. Bohoslavets ◽  
T. M. Hrytsun’ ◽  
B. M. Borsukevych
Keyword(s):  
Electron Acceptor ◽  
Potassium Dichromate ◽  
Anaerobic Respiration ◽  
Sulfate Reducing Bacteria ◽  
Negative Influence ◽  
Electron Acceptors ◽  
Metal Compounds ◽  
Nitrate Ions ◽  
Sulfate Reducing ◽  
Reducing Bacteria

Sulfate reducing bacteria, capable to reductive transformation of different nature pollutants, used in biotechnologies of purification of sewage, contaminated by carbon, sulfur, nitrogen and metal compounds. H2S formed by them sediment metals to form of insoluble sulfides. Number of metals can be used by these microorganisms as electron acceptors during anaerobic respiration. Because under the influence of metal compounds observed slowing of bacteria metabolism, selection isolated from technologically modified ecotops resistant to pollutions strains is important task to create a new biotechnologies of purification. That’s why the purpose of this work was to study the influence of potassium dichromate, present in medium, on reduction of sulfate and nitrate ions by sulfate reducing bacteria Desulfovibrio desulfuricans IMV K-6, Desulfovibrio sp. Yav-6 and Desulfovibrio sp. Yav-8, isolated from Yavorivske Lake, to estimate the efficiency of possible usage of these bacteria in technologies of complex purification of environment from dangerous pollutants. Bacteria were cultivated in modified Kravtsov-Sorokin medium without SO42- and FeCl2×4H2O for 10 days. To study the influence of K2Cr2O7 on usage by bacteria SO42- or NO3- cells were seeded to media with Na2SO4×10H2O or NaNO3 and K2Cr2O7 at concentrations of 1.74 mM for total content of electron acceptors in medium 3.47 mM (concentration of SO42- in medium of standard composition). Cells were also seeded to media with 3.47 mM Na2SO4×10H2O, NaNO3 or K2Cr2O7 to investigate their growth in media with SO42-, NO3- or Cr2O72- as sole electron acceptor (control). Biomass was determined by turbidymetric method, content of sulfate, nitrate, dichromate, chromium (III) ions, hydrogen sulfide or ammonia ions in cultural liquid – by spectrophotometric method. It was found that K2Cr2O7 inhibits growth (2.2 and 1.3 times) and level of reduction by bacteria sulfate or nitrate ions (4.2 and 3.0 times, respectively) at simultaneous addition into cultivation medium of 1.74 mM SO42- or NO3- and 1.74 mM Cr2O72-, compared with growth and level of reduction of sulfate or nitrate ions in medium only with SO42- or NO3- as sole electron acceptor. Revealed that during cultivation of bacteria in presence of equimolar amount of SO42- or NO3- and Cr2O72-, last used by bacteria faster, content of Cr3+ during whole period of bacteria cultivation exceeded content H2S or NH4+. K2Cr2O7 in medium has most negative influence on dissimilatory reduction by bacteria SO42- than NO3-, since level of nitrate ions reduction by cells in medium with NO3- and Cr2O72- was a half times higher than level of sulfate ions reduction by it in medium with SO42- and Cr2O72-. The ability of bacteria Desulfovibrio sp. to priority reduction of Cr2O72- and after their exhaustion − NO3- and SO42- in the processes of anaerobic respiration can be used in technologies of complex purification of environment from toxic compounds.

Influence of coordination metal compounds on productivity and biochemical composition of Dunaliella salina Teod.

1999 ◽  
Vol 1 (1) ◽  
pp. 73-84
Author(s):  
V. F. Rudik ◽  
S. V. Gramma ◽  
A. P. Gulya
Keyword(s):  
Biochemical Composition ◽  
Dunaliella Salina ◽  
Metal Compounds

FUNDAMENTALS ON EMISSION AND CONTROL OF TRACE METAL COMPOUNDS IN COMBUSTION PROCESSES

Clean Air ◽  
2004 ◽  
Vol 5 (3) ◽  
pp. 323-331
Author(s):  
Ichiro Naruse ◽  
Hong Yao ◽  
Hirofumi Minato ◽  
Noboru Saito ◽  
Tadanaga Kohama
Keyword(s):  
Trace Metal ◽  
Metal Compounds ◽  
Combustion Processes ◽  
And Control

Scalable Approach to High Coverages on Oxides via Iterative Training of a Machine-Learning Algorithm

2019 ◽  
Author(s):  
Andrew Medford ◽  
Shengchun Yang ◽  
Fuzhu Liu
Keyword(s):  
Machine Learning ◽  
Chemical Potential ◽  
Learning Algorithm ◽  
Absolute Error ◽  
Low Energy ◽  
Training Data ◽  
High Coverage ◽  
Metal Compounds ◽  
Adsorption Energies ◽  
The Stability

Understanding the interaction of multiple types of adsorbate molecules on solid surfaces is crucial to establishing the stability of catalysts under various chemical environments. Computational studies on the high coverage and mixed coverages of reaction intermediates are still challenging, especially for transition-metal compounds. In this work, we present a framework to predict differential adsorption energies and identify low-energy structures under high- and mixed-adsorbate coverages on oxide materials. The approach uses Gaussian process machine-learning models with quantified uncertainty in conjunction with an iterative training algorithm to actively identify the training set. The framework is demonstrated for the mixed adsorption of CH<sub>x</sub>, NH<sub>x</sub> and OH<sub>x</sub> species on the oxygen vacancy and pristine rutile TiO<sub>2</sub>(110) surface sites. The results indicate that the proposed algorithm is highly efficient at identifying the most valuable training data, and is able to predict differential adsorption energies with a mean absolute error of ~0.3 eV based on <25% of the total DFT data. The algorithm is also used to identify 76% of the low-energy structures based on <30% of the total DFT data, enabling construction of surface phase diagrams that account for high and mixed coverage as a function of the chemical potential of C, H, O, and N. Furthermore, the computational scaling indicates the algorithm scales nearly linearly (N<sup>1.12</sup>) as the number of adsorbates increases. This framework can be directly extended to metals, metal oxides, and other materials, providing a practical route toward the investigation of the behavior of catalysts under high-coverage conditions.

Influence of metal compounds on the oxygen-alkali treatment of kraft pulp and cellobiitol

1993 ◽  
Vol 8 (3) ◽  
pp. 307-318a ◽  
Author(s):  
Bengt Jarrehult ◽  
Olof Samuelson
Keyword(s):  
Kraft Pulp ◽  
Alkali Treatment ◽  
Metal Compounds

Bio-organometallic Peptide Conjugates: Recent Advances in Their Synthesis and Prospects for Biomedical Application

2020 ◽  
Vol 24 (21) ◽  
pp. 2508-2523
Author(s):  
Johana Gómez ◽  
Diego Sierra ◽  
Constanza Cárdenas ◽  
Fanny Guzmán
Keyword(s):  
Amino Acids ◽  
Biomedical Application ◽  
Structural Diversity ◽  
Biological Properties ◽  
Therapeutic Agents ◽  
Organometallic Complexes ◽  
Chemical Behavior ◽  
Metal Compounds ◽  
Bioorganometallic Chemistry ◽  
Pharmacological Control

One area of organometallic chemistry that has attracted great interest in recent years is the syntheses, characterization and study of organometallic complexes conjugated to biomolecules with different steric and electronic properties as potential therapeutic agents against cancer and malaria, as antibiotics and as radiopharmaceuticals. This minireview focuses on the unique structural diversity that has recently been discovered in α- amino acids and the reactions of metallocene complexes with peptides having different chemical behavior and potential medical applications. Replacing α-amino acids with metallocene fragments is an effective way of selectively influencing the physicochemical, structural, electrochemical and biological properties of the peptides. Consequently, research in the field of bioorganometallic chemistry offers the opportunity to develop bioactive metal compounds as an innovative and promising approach in the search for pharmacological control of different diseases.

Polymers contamination by heavy metal compounds

2002 ◽  
Vol 56 (11) ◽  
pp. 483-488
Author(s):  
Sasa Jovanic ◽  
Dragoslav Stoiljkovic ◽  
Ivanka Popovic
Keyword(s):  
Heavy Metal ◽  
Aqueous Medium ◽  
Metal Compound ◽  
Medium Temperature ◽  
Metal Compounds ◽  
Metal Type ◽  
Copper Manganese ◽  
Increasing Temperature

The contamination of important synthetic (surface unmodified) polymers by various heavy metal compounds (such as copper, manganese and lead) in aqueous medium was investigated in this study. The influence of the pH of the aqueous medium, temperature and metal type on contamination was investigated during a 10 day period. It was found that increasing pH contributed to higher polymer contamination (at higher pH 100 times for copper and up to 400 times for lead), as well as contact with easily penetrable substances. Increasing temperature decreased contamination by the metal compound for PELD and PET which was not the case for PEHD and PR.

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