equilibrium calculation
Recently Published Documents


TOTAL DOCUMENTS

164
(FIVE YEARS 26)

H-INDEX

19
(FIVE YEARS 2)

Molecules ◽  
2021 ◽  
Vol 27 (1) ◽  
pp. 131
Author(s):  
Facun Jiao ◽  
Xulong Ma ◽  
Tao Liu ◽  
Chengli Wu ◽  
Hanxu Li ◽  
...  

The vaporization behaviors of eight heavy metals (Pb, Zn, Cu, Cd, Cr, Co, Mn, and Ni) in municipal solid wastes incineration (MSWI) fly ash during thermal treatment under air atmosphere (21% O2/79% N2), an inert atmosphere (100% N2), and a reducing atmosphere (50% CO/50% N2) were evaluated based on a thermodynamic equilibrium calculation by FactSage 8.1. The results show that the reducing atmosphere promotes the melting of MSWI fly ash, resulting in a more liquid phase than in air or an inert atmosphere. Except for Cd, the formation of liquids can dissolve heavy metals and reduce their vaporization ratio. In the air and inert atmospheres, Pb, Zn, Cu, Co, Mn, and Ni vaporize mainly in the form of metallic chlorides, while Cd volatilizes in the form of metallic Cd (g) and CdO (g). In the reducing atmosphere, Co, Mn, and Ni still vaporize as chlorides. Zn and Cd mainly vaporize in the form of Zn (g) and Cd (g), respectively. In terms of Pb, in addition to its chlorides, the volatiles of Pb contain some Pb (g) and PbS (g). Cr has a low vaporization ratio, accounting for 2.4% of the air atmosphere. Cr, on the other hand, readily reacts with Ca to form water-soluble CrCaO4, potentially increasing Cr leaching. Except for Cd, the results of this study suggest that the reducing atmosphere is used for the thermal treatment of MSWI fly ash because it promotes the melting of fly ash and thus prevents heavy metal vaporization.


2021 ◽  
Vol 9 (2) ◽  
pp. 212
Author(s):  
Bagus Made Brahmanda Diputra ◽  
Ida Bagus Putu Gunadnya ◽  
I Putu Gede Budisanjaya

ABSTRAK Penelitian telah dilakukan pada kotak modifypolystyrene sebagai kotak pengiriman kubis segar menggunakan es kering sebagai media pendingin. Penelitian ini bertujuan untuk menguji kotak yang dimodifikasi untuk mengetahui kotak yang paling cocok dimodifikasi untuk menjaga kesegaran sayuran. Kotak polystyrene yang dimodifikasi dibuat dengan memisahkan kotak menjadi dua kompartemen, satu kompartemen untuk menempatkan es kering sebagai media pendingin, dan kompartemen lain untuk menyimpan kubis segar. Itu dibuat lima jenis kotak dimodifikasi, dua jenis media pendinginan mondar-mandir di bawah sayuran segar, sedangkan jenis sisanya menempatkan media pendingin di atas sayuran. Tes yang dilakukan selama 7 jam terdiri dari suhu di sekitar kotak, suhu di dalam kotak, dan suhu pusat kubis segar. Pengukuran lain yang dilakukan adalah berat es kering yang digunakan selama penyimpanan dingin, penurunan berat kubis segar, pengamatan visual kerusakan kubis segar, dan perhitungan keseimbangan energi. Menempatkan es kering di bawah kubis segar menyebabkan suhu tengah kubis segar jauh di atas suhu penyimpanan yang disarankan, 0oC, sementara menempatkan media pendingin di atas sayuran memberi dampak negatif pada sayuran di mana suhu tengah kubis segar di bawah 0oC untuk dua jenis kotak yang dimodifikasi, kecuali es kering yang ditempatkan di baskom yang terbuat dari piring zink. Berdasarkan perhitungan energi, terungkap bahwa hampir lebih dari 75% energi pendingin digunakan untuk mengatasi beban pendinginan di sekitarnya. Ditemukan bahwa kotak modifikasi yang paling cocok untuk menyimpan kubis segar adalah jenis kelima.    ABSTRACT Research had been carried out to modify polystyrene box as fresh cabbage delivery box using dry ice as a cooling medium. The research aims were to find out the most suitable model box to maintain the freshness of the vegetables. Modified polystyrene box was made by separating the box into two compartments, one compartment for placing dry ice, and another compartment for storing the fresh cabbage. The box was modified into five types which consisted of two types of the box where the cooling medium was placed below the fresh vegetable, while for the rest, the cooling medium was placed above the vegetable. The tests were performed for 7 hours with the hourly observation that consisted of the temperature surrounding the model box, temperature inside the box, and temperature of the center of the fresh cabbage. Other conducted measurements were the weight of dry ice used during cold storage, weight loss of fresh cabbage, visual observation on the deterioration of the fresh cabbage, and energy equilibrium calculation. Placing dry ice below the fresh cabbage caused the center temperature of the fresh cabbage to far above the recommended storing temperature, 0oC, while placing the cooling medium above the vegetable gave a negative impact on the vegetable where the center temperature of the fresh cabbage was below 0oC for the two types of model boxes, except for the fifth type box where dry ice was placed in a basin made of zink plate. Based on energy calculation it was revealed that almost more than 75% of cooling energy was used to overcome the surrounding cooling load. It was found that the most suitable model box for storing the fresh cabbage was the fifth type.


Author(s):  
T. Luo ◽  
A.Yu. Chirkov

Thermodynamic properties of multicomponent mixtures in phase equilibrium were studied. The tangent plane criterion was used for stability analysis, and the Gibbs energy minimization was employed for phase equilibrium calculation when the successive substitution didn't converge. Thermodynamic properties of a 12-component natural gas mixture in vapor-liquid equilibrium were calculated with highly accurate Helmholtz free energy equation of state GERG--2008, simplified GERG--2008 and common cubic Peng --- Robinson (PR) equation of state. Results show that in vapor-liquid equilibrium, GERG--2008 has high accuracy and works better than simplified GERG--2008 and PR-equation of state. Simplified GERG--2008 and PR-equation of state both work unsatisfactorily in vapor-liquid equilibrium calculation, especially near the saturation zone. The deviation function in GERG--2008 can significantly affect the accuracy of GERG--2008 when calculating thermodynamic properties of mixtures in vapor-liquid equilibrium


Author(s):  
Zhaosu Wang ◽  
Yunfeng Liang ◽  
Zhonghe Jiang ◽  
Jie Huang ◽  
Yasuhiro Suzuki ◽  
...  

Author(s):  
Fernando de Azevedo Medeiros ◽  
Erling Halfdan Stenby ◽  
Wei Yan

Analysis of multicomponent reactive systems requires reliable and accurate equilibrium calculation. There are many stoichiometric or non-stoichiometric methods to solve the flash-type calculations of a mixture in chemical and phase equilibrium. In contrast, there is a lack of robust and efficient methods for another important type of equilibrium calculation, the saturation point calculation or the calculation under the phase fraction specification (β-specification), for a reactive mixture. In this work, we developed RAND-based algorithms for calculating the saturation points and phase envelope of a reactive mixture. The RAND formulation is a non-stoichiometric approach recently extended to non-ideal mixtures for different flash specifications. We showed here how to modify the RAND-based flash formulation to solve the β-specification problems. We distinguished between two types of phase fractions, the one based on components and the one based on elements. They led to different constraint equations in the formulation. Furthermore, we introduced element-based partition coefficients, similar to the equilibrium ratios or K-factors used for non-reactive mixtures. Use of these new variables is essential to cross the critical point of a reactive mixture in the phase envelope construction. Since the formulation developed for reactive mixtures is general, it can also be reduced and used for the simpler non-reactive mixtures. We showed how the reduction could be made and how the reduced algorithm served as an alternative approach to the prevailing phase envelope algorithm of Michelsen. We illustrated the robustness and efficiency of the proposed algorithm using four examples: Pxy diagrams for CO2-NaCl brine, a solid-liquid T xy diagram for MgCl2-water, a PT phase envelope for a reactive mixture with the alkene hydration reaction, and a PT phase envelope for a non-reactive hydrocarbon mixture.


2021 ◽  
Vol 87 (2) ◽  
Author(s):  
S. A. Henneberg ◽  
S. R. Hudson ◽  
D. Pfefferlé ◽  
P. Helander

Combined plasma–coil optimization approaches for designing stellarators are discussed and a new method for calculating free-boundary equilibria for multiregion relaxed magnetohydrodynmics (MRxMHD) is proposed. Four distinct categories of stellarator optimization, two of which are novel approaches, are the fixed-boundary optimization, the generalized fixed-boundary optimization, the quasi-free-boundary optimization, and the free-boundary (coil) optimization. These are described using the MRxMHD energy functional, the Biot–Savart integral, the coil-penalty functional and the virtual casing integral and their derivatives. The proposed free-boundary equilibrium calculation differs from existing methods in how the boundary-value problem is posed, and for the new approach it seems that there is not an associated energy minimization principle because a non-symmetric functional arises. We propose to solve the weak formulation of this problem using a spectral-Galerkin method, and this will reduce the free-boundary equilibrium calculation to something comparable to a fixed-boundary calculation. In our discussion of combined plasma–coil optimization algorithms, we emphasize the importance of the stability matrix.


Energies ◽  
2021 ◽  
Vol 14 (2) ◽  
pp. 334
Author(s):  
Bo Zhao ◽  
Geng Chen ◽  
Zijiang Xiong ◽  
Linbo Qin ◽  
Wangsheng Chen ◽  
...  

Arsenic emission from coal combustion power plants has attracted increasing attention due to its high toxicity. In this study, it was found that there was a close relationship between the ash fusion temperature (AFT) and arsenic distribution based on the thermodynamic equilibrium calculation. In addition to the AFT, coal characteristics and combustion temperature also considerably affected the distribution and morphology of arsenic during coal combustion. Thus, an arsenic volatilization model based on the AFT, coal type, and combustion temperature during coal combustion was developed. To test the accuracy of the model, blending coal combustion experiments were carried out. The experimental results and published data proved that the developed arsenic volatilization model can accurately predict arsenic emission during co-combustion, and the errors of the predicted value for bituminous and lignite were 2.3–9.8%, with the exception of JingLong (JL) coal when combusted at 1500 °C.


2021 ◽  
pp. 201-201
Author(s):  
Shan Wang ◽  
Shuhong Li ◽  
Mengkai Xu ◽  
Zhenghao Jin ◽  
Chengcheng Xu

In order to investigate the ammonia + water + lithium bromide absorption refrigeration cycle process and to simulate it accurately, a vapor-liquid equilibrium calculation model was proposed to obtain thermodynamic characteristic data of the ternary mixtures. The calculation of parameters of liquid phase is based on Wilson?s equation and NRTL equation. The vapor phase, assumed to consist of ammonia and water only, is described by The Redlich-Kwong Equation of State. The data of the equilibrium vapor pressure and the ammonia concentration in liquid phase calculated by this model was compared with the experimental data, the difference is between 0.5% to 9.6% within the temperature range from303 K to 425 K. The COP obtained by the simulation matches with that obtained by experiment and the absolute deviation is less than 0.02. Therefore, this calculation model can be used for simulation to extend the temperature range and pressure range of the system, so as to determine the design parameters of the absorption refrigeration system. The simulation results indicates that under different working conditions, the optimal generator temperature and concentration of adding lithium bromide can be selected, to which the theoretical explanations were given in this paper.


Sign in / Sign up

Export Citation Format

Share Document