• Title/Summary/Keyword: Thermodynamics Theory

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A Study on Fouling Phenomena of in Petroleum Chemical Process (석유화학공정내에서 원유의 파울링 현상에 관한 연구)

  • Lee, Dong Rak;Ryu, Sang Ryoun;Park, Sang Jin;Cho, Wook Sang;Kim, Sang Wook
    • Applied Chemistry for Engineering
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    • v.7 no.3
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    • pp.443-452
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    • 1996
  • Fouling is caused by sedimentation and corrosion of polymer, heavy paraffine, chemicals, heavy organics, asphaltene, etc. in the entire chemical process of heat exchanger, boiler, desalter, etc. Fouling phenomena remains a serious operating problem which results in increased energy consumption, increased pressure drops, reduction or complete loss of products yield, and increased maintenance costs. In order to calculate the separated amounts of foulants and to control the fouling process, the predictive model is developed which is based on Scott & Magat polymer solution theory, Peng-Robinson EOS, BWR EOS, and continuous and multicomponent thermodynamics.

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Thermodynamics on the Mixed Micellization of Sodium Dodecylsulfate(SDS) with Sodium Dodecylbenzenesulfonate(DBS) in Pure Water (순수 물에서 Sodium Dodecylsulfate(SDS)와 Sodium Dodecylbenzenesulfonate(DBS)의 혼합미셀화에 대한 열역학적 고찰)

  • Lee, Byung Hwan
    • Journal of the Korean Chemical Society
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    • v.40 no.6
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    • pp.420-426
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    • 1996
  • The critical micelle concentration(CMC) and the counterion binding $constant(\beta)$ at the CMC of the mixtures of Sodium dodecylsulfate(SDS) with Sodium dodecylbenzenesulfonate(DBS) in aqueous solutions have been determined from the concentration dependence of electrical conductance at several temperatures from $15^{\circ}C$ to $35^{\circ}C.$ Thermodynamic parameters(${\Delta}C_p,\;{\Delta}G_m^{\circ},\;{\Delta}H_m^{\circ}$${\Delta}S_m^{\circ}$ and ${\Delta}C_p$), associated with the micelle formation of SDS/DBS mixtures, have been estimated from the temperature dependence of CMC and $\beta$ values. The measured values of ${\Delta}G_m^{\circ}\;and\;{\Delta}C_p$ are negative but the values of ${\Delta}S_m/^{\circ}$ are positive in the whole measured temperature region. The significance of these thermodynamic parameters and their relation to the theory of the micelle formation of SDS/DBS mixtures have been also considered.

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An elasto-plastic damage constitutive model for jointed rock mass with an application

  • Wang, Hanpeng;Li, Yong;Li, Shucai;Zhang, Qingsong;Liu, Jian
    • Geomechanics and Engineering
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    • v.11 no.1
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    • pp.77-94
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    • 2016
  • A forked tunnel, as a special complicated underground structure, is composed of big-arch tunnel, multi-arch tunnel, neighborhood tunnels and separate tunnels according to the different distances between two separate tunnels. Due to the complicated process of design and construction, surrounding jointed rock mass stability of the big-arch tunnel which belongs to the forked tunnel during excavation is a hot issue that needs special attentions. In this paper, an elasto-plastic damage constitutive model for jointed rock mass is proposed based on the coupling method considering elasto-plastic and damage theories, and the irreversible thermodynamics theory. Based on this elasto-plastic damage constitutive model, a three dimensional elasto-plastic damage finite element code (D-FEM) is implemented using Visual Fortran language, which can numerically simulate the whole excavation process of underground project and perform the structural stability of the surrounding rock mass. Comparing with a popular commercial computer code, three dimensional fast Lagrangian analysis of continua (FLAC3D), this D-FEM has advantages in terms of rapid computing process, element grouping function and providing more material models. After that, FLAC3D and D-FEM are simultaneously used to perform the structural stability analysis of the surrounding rock mass in the forked tunnel considering three different computing schemes. The final numerical results behave almost consistent using both FLAC3D and D-FEM. But from the point of numerically obtained damage softening areas, the numerical results obtained by D-FEM more closely approach the practical behaviors of in-situ surrounding rock mass.

Prediction of Pathway and Toxicity on Dechlorination of PCDDs by Linear Free Energy Relationship (다이옥신의 환원적 탈염화 분해 경로와 독성 변화예측을 위한 LFER 모델)

  • Kim, Ji-Hun;Chang, Yoon-Seok
    • Journal of Korean Society of Environmental Engineers
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    • v.31 no.2
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    • pp.125-131
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    • 2009
  • Reductive dechlorination of polychlorinated dibenzo-p-dioxins (PCDDs) and its toxicity change were predicted by the linear free energy relationship (LFER) model to assess the zero-valent iron (ZVI) and anaerobic dechlorinating bacteria (ADB) as electron donors in PCDDs dechlorination. Reductive dechlorination of PCDDs involves 256 reactions linking 76 congeners with highly variable toxicities, so is challenging to assess the overall effect of this process on the environmental impact of PCDD contamination. The Gibbs free energies of PCDDs in aqueous solution were updated to density functional theory (DFT) calculation level from thermodynamic results of literatures. All of dechlorination kinetics of PCDDs was evaluated from the linear correlation between the experimental dechlorination kinetics of PCDDs and the calculated thermodynamics of PCDDs. As a result, it was predicted that over 100 years would be taken for the complete dechlorination of octachlorinated dibenzo-p-dioxin (OCDD) to non-chlorinated compound (dibenzo-p-dioxin, DD), and the toxic equivalent quantity (TEQ) of PCDDs could increase to 10 times larger from initial TEQ with the dechlorination process. The results imply that the single reductive dechlorination using ZVI or ADB is not suitable for the treatment strategy of PCDDs contaminated soil, sediment and fly ash. This LFER approach is applicable for the prediction of dechlorination process for organohalogen compounds and for the assessment of electron donating system for treatment strategies.