添加劑條件下的甘氨酸結(jié)晶過程研究及分子模擬
發(fā)布時間:2018-04-18 17:15
本文選題:甘氨酸 + 結(jié)晶熱力學; 參考:《河北科技大學》2017年碩士論文
【摘要】:作為重要的精細化工中間體,甘氨酸廣泛地應(yīng)用于農(nóng)藥、醫(yī)藥、食品、飼料、光電材料及日用化工等領(lǐng)域。目前,國內(nèi)生產(chǎn)的甘氨酸產(chǎn)品存在α、γ-晶型混晶、晶習差、粒度分布不均勻及長期儲存易結(jié)塊等問題,嚴重影響甘氨酸的生產(chǎn)、銷售和使用。本論文以此為研究背景,對甘氨酸結(jié)晶過程進行了系統(tǒng)研究。添加劑作用下甘氨酸結(jié)晶熱力學研究。采用激光動態(tài)法測定了不同種類添加劑作用下甘氨酸在常壓下于293.15-343.15 K溫度范圍內(nèi)在水中的溶解度,考察了添加劑種類、添加劑添加量及溫度對甘氨酸溶解行為的影響,使用Apelblat經(jīng)驗方程、NRTL方程及λh方程對測定的溶解度數(shù)據(jù)進行了非線性回歸擬合,獲得了相關(guān)模型參數(shù),建立了不同添加劑條件下的甘氨酸在水中溶解行為的數(shù)學模型。對甘氨酸在溶解過程中的熱力學性質(zhì)進行了系統(tǒng)分析,計算得到了甘氨酸在水中溶解過程的標準摩爾焓變、標準摩爾熵變、標準摩爾吉布斯自由能變、焓熵相對貢獻、焓-熵補償、剩余焓,為結(jié)晶工藝及動力學的研究提供了基礎(chǔ)數(shù)據(jù)和理論支撐。添加劑作用下甘氨酸在水中的結(jié)晶介穩(wěn)性質(zhì)研究。本論文系統(tǒng)測定了不同添加劑條件下甘氨酸在水溶液中的超溶解度,獲得了溶液結(jié)晶介穩(wěn)區(qū),主要考察添加劑種類、添加劑添加量及溫度對甘氨酸介穩(wěn)區(qū)寬度的影響。利用EasyMax裝置測定了添加劑種類及添加量、降溫速率、攪拌速率對甘氨酸在水溶液中冷卻結(jié)晶出晶點溫度的調(diào)控,明確了調(diào)控規(guī)律。添加劑作用下甘氨酸在水中結(jié)晶工藝研究。采用單因素控制法系統(tǒng)研究了不同種類添加劑對甘氨酸結(jié)晶過程的影響,以甘氨酸晶體產(chǎn)品的晶型、晶習及粒度分布為研究目標,分析并明確了添加劑對甘氨酸結(jié)晶產(chǎn)品質(zhì)量的影響和調(diào)控規(guī)律。甘氨酸晶體形態(tài)學研究。以添加劑條件下甘氨酸在水溶液中獲得的冷卻結(jié)晶產(chǎn)品為研究對象,應(yīng)用Materials Studio分子模擬軟件對不同晶型的甘氨酸X-射線粉末衍射數(shù)據(jù)指標化得到相應(yīng)晶胞參數(shù),進而確定了兩種不同晶型甘氨酸的微觀結(jié)構(gòu)。利用BFDH模型預測了甘氨酸的理論晶習。
[Abstract]:As an important intermediate of fine chemical industry, glycine is widely used in pesticide, medicine, food, feed, optoelectronic materials and daily chemical industry.At present, there are some problems in domestic glycine products, such as 偽, 緯 -crystal mixed crystal, poor crystal habit, uneven grain size distribution and easy caking in long-term storage, which seriously affect the production, sale and use of glycine.Based on this background, the crystallization process of glycine was studied systematically.Thermodynamics of Glycine Crystallization under the Action of Additives.The solubility of glycine in water under atmospheric pressure at 293.15-343.15 K was determined by laser dynamic method. The effects of additives, additive amount and temperature on the solubility of glycine were investigated.The Apelblat empirical equation and 位 h equation are used to simulate the solubility data, and the related model parameters are obtained. The mathematical model of glycine dissolution in water under different additive conditions is established.The thermodynamic properties of glycine in the dissolution process were systematically analyzed. The standard molar enthalpy, standard molar entropy, standard Gibbs free energy and relative contribution of enthalpy entropy of glycine dissolved in water were calculated.Enthalpy-entropy compensation and residual enthalpy provide basic data and theoretical support for the study of crystallization process and kinetics.Study on the crystal stability of glycine in water under the action of additive.In this paper, the supersolubility of glycine in aqueous solution was systematically determined under different additive conditions, and the crystal metastable region of the solution was obtained. The effects of additives, additive amount and temperature on the width of the metastable zone of glycine were investigated.The kinds of additives, the amount of additives, the cooling rate and the stirring rate of glycine were determined by EasyMax device to control the crystallization point temperature of glycine in aqueous solution.Study on the crystallization process of glycine in water under the action of additive.The effects of different additives on the crystallization process of glycine were systematically studied by single factor control method. The crystal form, crystal habit and particle size distribution of glycine crystal products were studied.The effect of additives on the quality and regulation of glycine crystal products was analyzed and clarified.Morphology of glycine crystals.The cooling crystallization products obtained from glycine in aqueous solution under additive conditions were studied. The corresponding unit cell parameters were obtained by using Materials Studio molecular simulation software to index the X-ray powder diffraction data of glycine in different crystal forms.The microstructures of two different crystal forms of glycine were determined.The theoretical habit of glycine was predicted by BFDH model.
【學位授予單位】:河北科技大學
【學位級別】:碩士
【學位授予年份】:2017
【分類號】:O629.71
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